*HEADER    TRANSFERASE                             01-DEC-05   2D82              
*TITLE     TARGET STRUCTURE-BASED DISCOVERY OF SMALL MOLECULES THAT              
*TITLE    2 BLOCK HUMAN P53 AND CREB BINDING PROTEIN (CBP) ASSOCIATION           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CREB-BINDING PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: BROMODOMAIN;                                               
*COMPND   5 SYNONYM: CBP;                                                        
*COMPND   6 EC: 2.3.1.48;                                                        
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    BROMODOMAIN, CREB, CBP, NMR STRUCTURE, P53, CHEMICAL LIGAND,          
*KEYWDS   2 9-ACETYL-2,3,4,9-TETRAHYDRO-CARBAZOL-1-ONE                           
*EXPDTA    NMR                                                                   
*AUTHOR    SACHCHIDANAND, L.RESNICK-SILVERMAN, S.YAN, S.MUJTABA,                 
*AUTHOR   2 W.J.LIU, L.ZENG, J.J.MANFREDI, M.M.ZHOU                              
*REVDAT   1   04-APR-06 2D82    0                                                


!
!
!The last digit in peak ID is the spectrum number

ASSI {    01}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 39  and name HA  ))
     6 6 0 peak 01 weight  0.1000E+01 volume 122.32610 ppm1 7.276 ppm2 3.112
ASSI {    11}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 43  and name HD1#  ))
     6 6 0 peak 11 weight  0.1000E+01 volume 6.42390 ppm1 7.279 ppm2 0.844
ASSI {    21}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 45  and name HA1  ))
     6 6 0 peak 21 weight  0.1000E+01 volume 1354.07410 ppm1 7.387 ppm2 3.910
ASSI {    31}
  (( segid "PROT" and resid 82  and name HE1  ))
  (( segid "PROT" and resid 82  and name HB2  ))
     6 6 0 peak 31 weight  0.1000E+01 volume 21.22360 ppm1 10.508 ppm2 3.090
ASSI {    41}
  (( segid "PROT" and resid 82  and name HE1  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 41 weight  0.1000E+01 volume 321.87390 ppm1 10.508 ppm2 7.729
ASSI {    51}
  (( segid "PROT" and resid 82  and name HE1  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 51 weight  0.1000E+01 volume 437.03400 ppm1 10.508 ppm2 7.494
ASSI {    91}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 22  and name HB2  ))
     6 6 0 peak 91 weight  0.1000E+01 volume 83.34160 ppm1 7.480 ppm2 2.067
ASSI {   101}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 20  and name HB2  ))
     6 6 0 peak 101 weight  0.1000E+01 volume 19.51640 ppm1 7.478 ppm2 1.762
ASSI {   111}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 111 weight  0.1000E+01 volume 51.67350 ppm1 7.481 ppm2 1.072
ASSI {   121}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 22  and name HN  ))
     6 6 0 peak 121 weight  0.1000E+01 volume 31.20570 ppm1 7.480 ppm2 7.040
ASSI {   131}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 21  and name HA  ))
     6 6 0 peak 131 weight  0.1000E+01 volume 203.35170 ppm1 7.480 ppm2 4.174
ASSI {   141}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 141 weight  0.1000E+01 volume 440.25800 ppm1 8.935 ppm2 7.339
ASSI {   151}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 9  and name HA  ))
     6 6 0 peak 151 weight  0.1000E+01 volume 331.59210 ppm1 8.935 ppm2 4.649
ASSI {   161}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 8  and name HA  ))
     6 6 0 peak 161 weight  0.1000E+01 volume 643.39673 ppm1 8.934 ppm2 4.283
ASSI {   171}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 9  and name HB1  ))
     6 6 0 peak 171 weight  0.1000E+01 volume 603.88397 ppm1 8.935 ppm2 2.886
ASSI {   181}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 8  and name HB  ))
     6 6 0 peak 181 weight  0.1000E+01 volume 127.03600 ppm1 8.936 ppm2 1.757
ASSI {   191}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 8  and name HG12  ))
     6 6 0 peak 191 weight  0.1000E+01 volume 23.59190 ppm1 8.938 ppm2 1.144
ASSI {   201}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 8  and name HG2#  ))
     6 6 0 peak 201 weight  0.1000E+01 volume 343.73859 ppm1 8.934 ppm2 0.860
ASSI {   211}
  (( segid "PROT" and resid 22  and name HN  ))
  (( segid "PROT" and resid 22  and name HB1  ))
     6 6 0 peak 211 weight  0.1000E+01 volume 32.32840 ppm1 7.043 ppm2 2.225
ASSI {   221}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 221 weight  0.1000E+01 volume 28.62220 ppm1 7.992 ppm2 0.840
ASSI {   231}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 231 weight  0.1000E+01 volume 63.73040 ppm1 7.989 ppm2 3.914
ASSI {   241}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 33  and name HG  ))
     6 6 0 peak 241 weight  0.1000E+01 volume 118.87640 ppm1 7.988 ppm2 1.704
ASSI {   251}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 33  and name HB1  ))
     6 6 0 peak 251 weight  0.1000E+01 volume 49.19570 ppm1 7.989 ppm2 2.100
ASSI {   261}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 30  and name HD1  ))
     6 6 0 peak 261 weight  0.1000E+01 volume 52.43320 ppm1 9.477 ppm2 3.358
ASSI {   271}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 29  and name HB1  ))
     6 6 0 peak 271 weight  0.1000E+01 volume 10.61020 ppm1 9.477 ppm2 2.823
ASSI {   281}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 31  and name HB1  ))
     6 6 0 peak 281 weight  0.1000E+01 volume 329.39389 ppm1 9.475 ppm2 1.577
ASSI {   291}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 9  and name HB1  ))
     6 6 0 peak 291 weight  0.1000E+01 volume 206.67979 ppm1 9.227 ppm2 2.873
ASSI {   301}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 13  and name HG1  ))
     6 6 0 peak 301 weight  0.1000E+01 volume 133.54919 ppm1 9.227 ppm2 2.384
ASSI {   311}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 10  and name HB1  ))
     6 6 0 peak 311 weight  0.1000E+01 volume 240.16141 ppm1 9.225 ppm2 2.183
ASSI {   321}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 10  and name HB2  ))
     6 6 0 peak 321 weight  0.1000E+01 volume 836.49011 ppm1 9.226 ppm2 1.677
ASSI {   331}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 33  and name HB1  ))
     6 6 0 peak 331 weight  0.1000E+01 volume 37.62500 ppm1 8.008 ppm2 2.083
ASSI {   341}
  (( segid "PROT" and resid 15  and name HE  ))
  (( segid "PROT" and resid 15  and name HD1  ))
     6 6 0 peak 341 weight  0.1000E+01 volume 242.08070 ppm1 7.797 ppm2 3.291
ASSI {   351}
  (( segid "PROT" and resid 6  and name HN  ))
  (( segid "PROT" and resid 6  and name HG1  ))
     6 6 0 peak 351 weight  0.1000E+01 volume 20.40720 ppm1 8.431 ppm2 1.402
ASSI {   361}
  (( segid "PROT" and resid 6  and name HN  ))
  (( segid "PROT" and resid 6  and name HA  ))
     6 6 0 peak 361 weight  0.1000E+01 volume 716.55573 ppm1 8.429 ppm2 4.328
ASSI {   371}
  (( segid "PROT" and resid 6  and name HN  ))
  (( segid "PROT" and resid 6  and name HB1  ))
     6 6 0 peak 371 weight  0.1000E+01 volume 402.73520 ppm1 8.427 ppm2 1.762
ASSI {   381}
  (( segid "PROT" and resid 7  and name HN  ))
  (( segid "PROT" and resid 7  and name HA  ))
     6 6 0 peak 381 weight  0.1000E+01 volume 1410.79834 ppm1 8.285 ppm2 4.275
ASSI {   391}
  (( segid "PROT" and resid 7  and name HN  ))
  (( segid "PROT" and resid 7  and name HB1  ))
     6 6 0 peak 391 weight  0.1000E+01 volume 703.11627 ppm1 8.286 ppm2 1.616
ASSI {   401}
  (( segid "PROT" and resid 7  and name HN  ))
  (( segid "PROT" and resid 7  and name HG1  ))
     6 6 0 peak 401 weight  0.1000E+01 volume 29.87870 ppm1 8.285 ppm2 1.107
ASSI {   411}
  (( segid "PROT" and resid 7  and name HN  ))
  (( segid "PROT" and resid 8  and name HN  ))
     6 6 0 peak 411 weight  0.1000E+01 volume 69.66770 ppm1 8.286 ppm2 8.023
ASSI {   421}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 20  and name HA  ))
     6 6 0 peak 421 weight  0.1000E+01 volume 47.29860 ppm1 8.675 ppm2 3.643
ASSI {   431}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 19  and name HB1  ))
     6 6 0 peak 431 weight  0.1000E+01 volume 318.07800 ppm1 8.676 ppm2 2.225
ASSI {   441}
  (( segid "PROT" and resid 54  and name HN  ))
  (( segid "PROT" and resid 55  and name HN  ))
     6 6 0 peak 441 weight  0.1000E+01 volume 171.71730 ppm1 7.661 ppm2 8.602
ASSI {   451}
  (( segid "PROT" and resid 54  and name HN  ))
  (( segid "PROT" and resid 54  and name HB1  ))
     6 6 0 peak 451 weight  0.1000E+01 volume 47.58920 ppm1 7.663 ppm2 1.824
ASSI {   461}
  (( segid "PROT" and resid 54  and name HN  ))
  (( segid "PROT" and resid 54  and name HB2  ))
     6 6 0 peak 461 weight  0.1000E+01 volume 149.35249 ppm1 7.662 ppm2 1.647
ASSI {   471}
  (( segid "PROT" and resid 54  and name HN  ))
  (( segid "PROT" and resid 54  and name HA  ))
     6 6 0 peak 471 weight  0.1000E+01 volume 167.22501 ppm1 7.662 ppm2 4.214
ASSI {   481}
  (( segid "PROT" and resid 54  and name HN  ))
  (( segid "PROT" and resid 53  and name HA  ))
     6 6 0 peak 481 weight  0.1000E+01 volume 424.39450 ppm1 7.662 ppm2 3.578
ASSI {   491}
  (( segid "PROT" and resid 54  and name HN  ))
  (( segid "PROT" and resid 54  and name HG1  ))
     6 6 0 peak 491 weight  0.1000E+01 volume 84.19150 ppm1 7.663 ppm2 1.407
ASSI {   501}
  (( segid "PROT" and resid 5  and name HN  ))
  (( segid "PROT" and resid 5  and name HA  ))
     6 6 0 peak 501 weight  0.1000E+01 volume 49.67040 ppm1 8.478 ppm2 4.409
ASSI {   511}
  (( segid "PROT" and resid 5  and name HN  ))
  (( segid "PROT" and resid 5  and name HB1  ))
     6 6 0 peak 511 weight  0.1000E+01 volume 123.71430 ppm1 8.478 ppm2 1.788
ASSI {   521}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 80  and name HA  ))
     6 6 0 peak 521 weight  0.1000E+01 volume 27.50080 ppm1 8.074 ppm2 4.573
ASSI {   531}
  (( segid "PROT" and resid 8  and name HN  ))
  (( segid "PROT" and resid 8  and name HB  ))
     6 6 0 peak 531 weight  0.1000E+01 volume 580.96332 ppm1 8.028 ppm2 1.752
ASSI {   541}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 541 weight  0.1000E+01 volume 212.87970 ppm1 8.071 ppm2 1.133
ASSI {   551}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 83  and name HB1  ))
     6 6 0 peak 551 weight  0.1000E+01 volume 36.36540 ppm1 8.074 ppm2 2.195
ASSI {   561}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 561 weight  0.1000E+01 volume 48.67110 ppm1 8.076 ppm2 0.909
ASSI {   571}
  (( segid "PROT" and resid 8  and name HN  ))
  (( segid "PROT" and resid 8  and name HG2#  ))
     6 6 0 peak 571 weight  0.1000E+01 volume 166.87849 ppm1 8.027 ppm2 0.887
ASSI {   581}
  (( segid "PROT" and resid 8  and name HN  ))
  (( segid "PROT" and resid 8  and name HG12  ))
     6 6 0 peak 581 weight  0.1000E+01 volume 310.02719 ppm1 8.028 ppm2 1.134
ASSI {   591}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 114  and name HA  ))
     6 6 0 peak 591 weight  0.1000E+01 volume 165.78200 ppm1 6.975 ppm2 4.561
ASSI {   601}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 115  and name HD2  ))
     6 6 0 peak 601 weight  0.1000E+01 volume 100.98900 ppm1 6.977 ppm2 3.522
ASSI {   611}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 611 weight  0.1000E+01 volume 198.99910 ppm1 6.976 ppm2 0.731
ASSI {   621}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 114  and name HB1  ))
     6 6 0 peak 621 weight  0.1000E+01 volume 379.59320 ppm1 6.976 ppm2 2.857
ASSI {   631}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 53  and name HB  ))
     6 6 0 peak 631 weight  0.1000E+01 volume 338.03229 ppm1 8.619 ppm2 1.036
ASSI {   641}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 103  and name HN  ))
     6 6 0 peak 641 weight  0.1000E+01 volume 28.11120 ppm1 7.798 ppm2 8.468
ASSI {   651}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 104  and name HA  ))
     6 6 0 peak 651 weight  0.1000E+01 volume 399.56131 ppm1 7.795 ppm2 4.255
ASSI {   661}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 104  and name HG1  ))
     6 6 0 peak 661 weight  0.1000E+01 volume 25.42300 ppm1 7.798 ppm2 1.502
ASSI {   671}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 104  and name HB1  ))
     6 6 0 peak 671 weight  0.1000E+01 volume 405.32031 ppm1 7.798 ppm2 2.026
ASSI {   681}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 681 weight  0.1000E+01 volume 54.56420 ppm1 7.999 ppm2 3.705
ASSI {   691}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 49  and name HB1  ))
     6 6 0 peak 691 weight  0.1000E+01 volume 53.25330 ppm1 7.996 ppm2 2.728
ASSI {   701}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 64  and name HG1  ))
     6 6 0 peak 701 weight  0.1000E+01 volume 56.83200 ppm1 8.472 ppm2 1.695
ASSI {   711}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 80  and name HA  ))
     6 6 0 peak 711 weight  0.1000E+01 volume 213.60480 ppm1 7.168 ppm2 4.577
ASSI {   721}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 80  and name HB1  ))
     6 6 0 peak 721 weight  0.1000E+01 volume 217.66800 ppm1 7.169 ppm2 2.814
ASSI {   731}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 80  and name HB2  ))
     6 6 0 peak 731 weight  0.1000E+01 volume 42.42460 ppm1 7.167 ppm2 2.504
ASSI {   741}
  (( segid "PROT" and resid 120  and name HN  ))
  (( segid "PROT" and resid 118  and name HB1  ))
     6 6 0 peak 741 weight  0.1000E+01 volume 11.45110 ppm1 7.592 ppm2 2.187
ASSI {   751}
  (( segid "PROT" and resid 120  and name HN  ))
  (( segid "PROT" and resid 119  and name HB1  ))
     6 6 0 peak 751 weight  0.1000E+01 volume 145.09669 ppm1 7.594 ppm2 4.035
ASSI {   761}
  (( segid "PROT" and resid 120  and name HN  ))
  (( segid "PROT" and resid 120  and name HB1  ))
     6 6 0 peak 761 weight  0.1000E+01 volume 644.92499 ppm1 7.593 ppm2 1.797
ASSI {   771}
  (( segid "PROT" and resid 43  and name HN  ))
  (( segid "PROT" and resid 42  and name HN  ))
     6 6 0 peak 771 weight  0.1000E+01 volume 342.36270 ppm1 7.413 ppm2 7.754
ASSI {   781}
  (( segid "PROT" and resid 43  and name HN  ))
  (( segid "PROT" and resid 42  and name HB1  ))
     6 6 0 peak 781 weight  0.1000E+01 volume 388.39230 ppm1 7.412 ppm2 2.127
ASSI {   791}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 791 weight  0.1000E+01 volume 124.97970 ppm1 7.410 ppm2 -0.266
ASSI {   801}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 81  and name HA  ))
     6 6 0 peak 801 weight  0.1000E+01 volume 163.33270 ppm1 7.409 ppm2 2.493
ASSI {   811}
  (( segid "PROT" and resid 43  and name HN  ))
  (( segid "PROT" and resid 43  and name HG  ))
     6 6 0 peak 811 weight  0.1000E+01 volume 858.57800 ppm1 7.413 ppm2 1.495
ASSI {   821}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 81  and name HB  ))
     6 6 0 peak 821 weight  0.1000E+01 volume 247.37151 ppm1 7.413 ppm2 0.870
ASSI {   831}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 79  and name HB1  ))
     6 6 0 peak 831 weight  0.1000E+01 volume 23.37160 ppm1 7.408 ppm2 2.874
ASSI {   841}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 88  and name HA  ))
     6 6 0 peak 841 weight  0.1000E+01 volume 92.29520 ppm1 7.312 ppm2 4.345
ASSI {   851}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 851 weight  0.1000E+01 volume 321.37939 ppm1 7.310 ppm2 1.727
ASSI {   861}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 100  and name HB1  ))
     6 6 0 peak 861 weight  0.1000E+01 volume 51.28210 ppm1 9.172 ppm2 2.037
ASSI {   871}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 61  and name HA  ))
     6 6 0 peak 871 weight  0.1000E+01 volume 19.34510 ppm1 7.269 ppm2 3.910
ASSI {   881}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 881 weight  0.1000E+01 volume 33.12180 ppm1 7.265 ppm2 1.171
ASSI {   891}
  (( segid "PROT" and resid 72  and name HN  ))
  (( segid "PROT" and resid 71  and name HB1  ))
     6 6 0 peak 891 weight  0.1000E+01 volume 10.73020 ppm1 8.903 ppm2 2.767
ASSI {   901}
  (( segid "PROT" and resid 72  and name HN  ))
  (( segid "PROT" and resid 72  and name HG1  ))
     6 6 0 peak 901 weight  0.1000E+01 volume 86.13590 ppm1 8.904 ppm2 2.435
ASSI {   911}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 911 weight  0.1000E+01 volume 452.01111 ppm1 7.962 ppm2 0.910
ASSI {   921}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 107  and name HN  ))
     6 6 0 peak 921 weight  0.1000E+01 volume 36.73200 ppm1 7.962 ppm2 7.491
ASSI {   931}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 66  and name HA  ))
     6 6 0 peak 931 weight  0.1000E+01 volume 142.61501 ppm1 8.568 ppm2 4.370
ASSI {   941}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 108  and name HB  ))
     6 6 0 peak 941 weight  0.1000E+01 volume 679.70142 ppm1 7.793 ppm2 2.195
ASSI {   951}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 108  and name HA  ))
     6 6 0 peak 951 weight  0.1000E+01 volume 266.38461 ppm1 7.793 ppm2 3.633
ASSI {   961}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 961 weight  0.1000E+01 volume 439.10080 ppm1 7.793 ppm2 0.952
ASSI {   971}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 66  and name HN  ))
     6 6 0 peak 971 weight  0.1000E+01 volume 26.61880 ppm1 9.131 ppm2 8.567
ASSI {   981}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 66  and name HB1  ))
     6 6 0 peak 981 weight  0.1000E+01 volume 159.11810 ppm1 9.132 ppm2 1.942
ASSI {   991}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 67  and name HA  ))
     6 6 0 peak 991 weight  0.1000E+01 volume 262.30280 ppm1 9.134 ppm2 4.366
ASSI {  1001}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 67  and name HB1  ))
     6 6 0 peak 1001 weight  0.1000E+01 volume 179.84360 ppm1 9.133 ppm2 2.868
ASSI {  1011}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 67  and name HB2  ))
     6 6 0 peak 1011 weight  0.1000E+01 volume 85.38270 ppm1 9.132 ppm2 2.614
ASSI {  1021}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 66  and name HB2  ))
     6 6 0 peak 1021 weight  0.1000E+01 volume 63.00830 ppm1 9.135 ppm2 1.773
ASSI {  1031}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 68  and name HA  ))
     6 6 0 peak 1031 weight  0.1000E+01 volume 16.15430 ppm1 9.135 ppm2 4.531
ASSI {  1041}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 13  and name HA  ))
     6 6 0 peak 1041 weight  0.1000E+01 volume 398.31720 ppm1 7.204 ppm2 4.159
ASSI {  1051}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 10  and name HB2  ))
     6 6 0 peak 1051 weight  0.1000E+01 volume 181.03740 ppm1 7.206 ppm2 1.673
ASSI {  1061}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 13  and name HG1  ))
     6 6 0 peak 1061 weight  0.1000E+01 volume 310.61649 ppm1 7.203 ppm2 2.376
ASSI {  1071}
  (( segid "PROT" and resid 23  and name HN  ))
  (( segid "PROT" and resid 24  and name HN  ))
     6 6 0 peak 1071 weight  0.1000E+01 volume 41.57360 ppm1 8.769 ppm2 7.556
ASSI {  1081}
  (( segid "PROT" and resid 23  and name HN  ))
  (( segid "PROT" and resid 23  and name HB1  ))
     6 6 0 peak 1081 weight  0.1000E+01 volume 584.93909 ppm1 8.808 ppm2 2.064
ASSI {  1091}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 89  and name HB2  ))
     6 6 0 peak 1091 weight  0.1000E+01 volume 58.22170 ppm1 8.663 ppm2 3.117
ASSI {  1101}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 13  and name HN  ))
     6 6 0 peak 1101 weight  0.1000E+01 volume 49.16080 ppm1 7.858 ppm2 7.201
ASSI {  1111}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 13  and name HA  ))
     6 6 0 peak 1111 weight  0.1000E+01 volume 38.42300 ppm1 7.857 ppm2 4.171
ASSI {  1121}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 1121 weight  0.1000E+01 volume 44.52040 ppm1 7.860 ppm2 3.804
ASSI {  1131}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 13  and name HB1  ))
     6 6 0 peak 1131 weight  0.1000E+01 volume 161.55051 ppm1 7.860 ppm2 2.387
ASSI {  1141}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 14  and name HB1  ))
     6 6 0 peak 1141 weight  0.1000E+01 volume 169.33990 ppm1 7.858 ppm2 1.657
ASSI {  1151}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 13  and name HB2  ))
     6 6 0 peak 1151 weight  0.1000E+01 volume 26.09730 ppm1 7.860 ppm2 2.208
ASSI {  1161}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 1161 weight  0.1000E+01 volume 21.09920 ppm1 7.859 ppm2 0.353
ASSI {  1171}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 108  and name HA  ))
     6 6 0 peak 1171 weight  0.1000E+01 volume 16.77300 ppm1 9.079 ppm2 3.641
ASSI {  1181}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 108  and name HG2#  ))
     6 6 0 peak 1181 weight  0.1000E+01 volume 169.98219 ppm1 9.078 ppm2 0.905
ASSI {  1191}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 87  and name HA  ))
     6 6 0 peak 1191 weight  0.1000E+01 volume 196.02390 ppm1 8.921 ppm2 4.498
ASSI {  1201}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 88  and name HN  ))
     6 6 0 peak 1201 weight  0.1000E+01 volume 66.44440 ppm1 8.925 ppm2 7.299
ASSI {  1211}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 86  and name HB1  ))
     6 6 0 peak 1211 weight  0.1000E+01 volume 151.92970 ppm1 8.926 ppm2 3.124
ASSI {  1221}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 1221 weight  0.1000E+01 volume 18.82780 ppm1 8.807 ppm2 3.800
ASSI {  1231}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 62  and name HB  ))
     6 6 0 peak 1231 weight  0.1000E+01 volume 182.41470 ppm1 8.776 ppm2 1.711
ASSI {  1241}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 1241 weight  0.1000E+01 volume 109.40050 ppm1 7.330 ppm2 1.142
ASSI {  1251}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 53  and name HN  ))
     6 6 0 peak 1251 weight  0.1000E+01 volume 51.10500 ppm1 7.179 ppm2 8.617
ASSI {  1261}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 51  and name HN  ))
     6 6 0 peak 1261 weight  0.1000E+01 volume 43.35360 ppm1 7.182 ppm2 7.639
ASSI {  1271}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 90  and name HB1  ))
     6 6 0 peak 1271 weight  0.1000E+01 volume 141.00140 ppm1 8.121 ppm2 2.151
ASSI {  1281}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 90  and name HD1#  ))
     6 6 0 peak 1281 weight  0.1000E+01 volume 156.85091 ppm1 8.116 ppm2 1.007
ASSI {  1291}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 90  and name HG  ))
     6 6 0 peak 1291 weight  0.1000E+01 volume 168.30991 ppm1 8.120 ppm2 1.436
ASSI {  1301}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 23  and name HB1  ))
     6 6 0 peak 1301 weight  0.1000E+01 volume 388.44089 ppm1 7.581 ppm2 2.023
ASSI {  1311}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 25  and name HN  ))
     6 6 0 peak 1311 weight  0.1000E+01 volume 71.68090 ppm1 7.581 ppm2 7.267
ASSI {  1321}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 24  and name HA  ))
     6 6 0 peak 1321 weight  0.1000E+01 volume 403.85751 ppm1 7.580 ppm2 3.966
ASSI {  1331}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 1331 weight  0.1000E+01 volume 512.39600 ppm1 7.581 ppm2 1.416
ASSI {  1341}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 23  and name HG1  ))
     6 6 0 peak 1341 weight  0.1000E+01 volume 103.07810 ppm1 7.580 ppm2 2.290
ASSI {  1351}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 85  and name HB1  ))
     6 6 0 peak 1351 weight  0.1000E+01 volume 163.18860 ppm1 7.487 ppm2 2.506
ASSI {  1361}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 78  and name HB  ))
     6 6 0 peak 1361 weight  0.1000E+01 volume 29.27040 ppm1 7.332 ppm2 2.286
ASSI {  1371}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 1371 weight  0.1000E+01 volume 229.31560 ppm1 8.147 ppm2 3.676
ASSI {  1381}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 15  and name HB1  ))
     6 6 0 peak 1381 weight  0.1000E+01 volume 751.86450 ppm1 8.141 ppm2 1.873
ASSI {  1391}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 14  and name HB2  ))
     6 6 0 peak 1391 weight  0.1000E+01 volume 84.85810 ppm1 8.147 ppm2 1.332
ASSI {  1401}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 12  and name HA  ))
     6 6 0 peak 1401 weight  0.1000E+01 volume 40.13040 ppm1 8.146 ppm2 4.170
ASSI {  1431}
  (( segid "PROT" and resid 93  and name HN  ))
  (( segid "PROT" and resid 93  and name HG1  ))
     6 6 0 peak 1431 weight  0.1000E+01 volume 229.14360 ppm1 8.799 ppm2 1.735
ASSI {  1441}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 117  and name HA  ))
     6 6 0 peak 1441 weight  0.1000E+01 volume 94.76250 ppm1 8.458 ppm2 4.323
ASSI {  1451}
  (( segid "PROT" and resid 48  and name HN  ))
  (( segid "PROT" and resid 48  and name HB2  ))
     6 6 0 peak 1451 weight  0.1000E+01 volume 203.48019 ppm1 8.427 ppm2 2.689
ASSI {  1461}
  (( segid "PROT" and resid 48  and name HN  ))
  (( segid "PROT" and resid 49  and name HN  ))
     6 6 0 peak 1461 weight  0.1000E+01 volume 287.97000 ppm1 8.428 ppm2 8.004
ASSI {  1471}
  (( segid "PROT" and resid 48  and name HN  ))
  (( segid "PROT" and resid 48  and name HB1  ))
     6 6 0 peak 1471 weight  0.1000E+01 volume 149.75200 ppm1 8.428 ppm2 3.151
ASSI {  1481}
  (( segid "PROT" and resid 12  and name HN  ))
  (( segid "PROT" and resid 12  and name HA  ))
     6 6 0 peak 1481 weight  0.1000E+01 volume 442.74289 ppm1 9.749 ppm2 4.176
ASSI {  1491}
  (( segid "PROT" and resid 12  and name HN  ))
  (( segid "PROT" and resid 11  and name HD1  ))
     6 6 0 peak 1491 weight  0.1000E+01 volume 31.98660 ppm1 9.750 ppm2 3.954
ASSI {  1501}
  (( segid "PROT" and resid 12  and name HN  ))
  (( segid "PROT" and resid 12  and name HG1  ))
     6 6 0 peak 1501 weight  0.1000E+01 volume 478.67789 ppm1 9.750 ppm2 2.347
ASSI {  1511}
  (( segid "PROT" and resid 12  and name HN  ))
  (( segid "PROT" and resid 12  and name HB1  ))
     6 6 0 peak 1511 weight  0.1000E+01 volume 347.34030 ppm1 9.750 ppm2 2.054
ASSI {  1521}
  (( segid "PROT" and resid 12  and name HN  ))
  (( segid "PROT" and resid 10  and name HB2  ))
     6 6 0 peak 1521 weight  0.1000E+01 volume 45.52890 ppm1 9.749 ppm2 1.675
ASSI {  1531}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 119  and name HN  ))
     6 6 0 peak 1531 weight  0.1000E+01 volume 297.36829 ppm1 8.032 ppm2 7.611
ASSI {  1541}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 117  and name HN  ))
     6 6 0 peak 1541 weight  0.1000E+01 volume 86.96540 ppm1 8.031 ppm2 8.464
ASSI {  1551}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 118  and name HA  ))
     6 6 0 peak 1551 weight  0.1000E+01 volume 479.73041 ppm1 8.030 ppm2 4.110
ASSI {  1561}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 118  and name HG1  ))
     6 6 0 peak 1561 weight  0.1000E+01 volume 595.67358 ppm1 8.030 ppm2 2.490
ASSI {  1571}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 118  and name HB2  ))
     6 6 0 peak 1571 weight  0.1000E+01 volume 355.54510 ppm1 8.032 ppm2 2.066
ASSI {  1581}
  (( segid "PROT" and resid 64  and name HN  ))
  (( segid "PROT" and resid 61  and name HA  ))
     6 6 0 peak 1581 weight  0.1000E+01 volume 34.39360 ppm1 7.813 ppm2 3.909
ASSI {  1591}
  (( segid "PROT" and resid 64  and name HN  ))
  (( segid "PROT" and resid 64  and name HA  ))
     6 6 0 peak 1591 weight  0.1000E+01 volume 58.73320 ppm1 7.811 ppm2 4.198
ASSI {  1601}
  (( segid "PROT" and resid 64  and name HN  ))
  (( segid "PROT" and resid 64  and name HB1  ))
     6 6 0 peak 1601 weight  0.1000E+01 volume 975.66962 ppm1 7.811 ppm2 1.997
ASSI {  1611}
  (( segid "PROT" and resid 64  and name HN  ))
  (( segid "PROT" and resid 64  and name HG2  ))
     6 6 0 peak 1611 weight  0.1000E+01 volume 56.50820 ppm1 7.811 ppm2 1.530
ASSI {  1621}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 1621 weight  0.1000E+01 volume 83.72820 ppm1 6.563 ppm2 0.773
ASSI {  1631}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 116  and name HA  ))
     6 6 0 peak 1631 weight  0.1000E+01 volume 313.30670 ppm1 6.561 ppm2 3.711
ASSI {  1641}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 116  and name HB  ))
     6 6 0 peak 1641 weight  0.1000E+01 volume 551.63031 ppm1 6.561 ppm2 2.068
ASSI {  1651}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 116  and name HG1#  ))
     6 6 0 peak 1651 weight  0.1000E+01 volume 309.21051 ppm1 6.561 ppm2 1.052
ASSI {  1661}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 52  and name HN  ))
     6 6 0 peak 1661 weight  0.1000E+01 volume 63.00530 ppm1 7.638 ppm2 7.185
ASSI {  1671}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 51  and name HB1  ))
     6 6 0 peak 1671 weight  0.1000E+01 volume 218.18201 ppm1 7.636 ppm2 2.936
ASSI {  1681}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 51  and name HB2  ))
     6 6 0 peak 1681 weight  0.1000E+01 volume 151.87770 ppm1 7.638 ppm2 2.718
ASSI {  1691}
  (( segid "PROT" and resid 113  and name HN  ))
  (( segid "PROT" and resid 113  and name HA  ))
     6 6 0 peak 1691 weight  0.1000E+01 volume 383.14569 ppm1 8.831 ppm2 4.102
ASSI {  1701}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 72  and name HA  ))
     6 6 0 peak 1701 weight  0.1000E+01 volume 35.99330 ppm1 8.113 ppm2 4.287
ASSI {  1711}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 70  and name HA  ))
     6 6 0 peak 1711 weight  0.1000E+01 volume 52.18450 ppm1 8.115 ppm2 3.986
ASSI {  1721}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 70  and name HN  ))
     6 6 0 peak 1721 weight  0.1000E+01 volume 212.48759 ppm1 8.114 ppm2 8.377
ASSI {  1731}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 71  and name HB1  ))
     6 6 0 peak 1731 weight  0.1000E+01 volume 117.64600 ppm1 8.114 ppm2 2.761
ASSI {  1741}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 72  and name HB1  ))
     6 6 0 peak 1741 weight  0.1000E+01 volume 49.04490 ppm1 8.114 ppm2 2.235
ASSI {  1751}
  (( segid "PROT" and resid 36  and name HH12  ))
  (( segid "PROT" and resid 36  and name HG1  ))
     6 6 0 peak 1751 weight  0.1000E+01 volume 98.28600 ppm1 7.167 ppm2 2.183
ASSI {  1761}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 28  and name HG1  ))
     6 6 0 peak 1761 weight  0.1000E+01 volume 61.92400 ppm1 7.291 ppm2 2.815
ASSI {  1771}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 27  and name HG1  ))
     6 6 0 peak 1771 weight  0.1000E+01 volume 204.35519 ppm1 7.294 ppm2 1.695
ASSI {  1791}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 28  and name HA  ))
     6 6 0 peak 1791 weight  0.1000E+01 volume 330.95099 ppm1 7.292 ppm2 4.117
ASSI {  1801}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 16  and name HN  ))
     6 6 0 peak 1801 weight  0.1000E+01 volume 221.85330 ppm1 7.445 ppm2 7.798
ASSI {  1811}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 16  and name HA  ))
     6 6 0 peak 1811 weight  0.1000E+01 volume 39.51090 ppm1 7.446 ppm2 3.933
ASSI {  1821}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 16  and name HG1  ))
     6 6 0 peak 1821 weight  0.1000E+01 volume 44.11890 ppm1 7.444 ppm2 2.436
ASSI {  1831}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 16  and name HB1  ))
     6 6 0 peak 1831 weight  0.1000E+01 volume 467.09171 ppm1 7.447 ppm2 2.109
ASSI {  1841}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 1841 weight  0.1000E+01 volume 666.02728 ppm1 7.446 ppm2 1.353
ASSI {  1851}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 54  and name HN  ))
     6 6 0 peak 1851 weight  0.1000E+01 volume 356.05911 ppm1 8.588 ppm2 7.655
ASSI {  1861}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 54  and name HA  ))
     6 6 0 peak 1861 weight  0.1000E+01 volume 97.32900 ppm1 8.589 ppm2 4.222
ASSI {  1871}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 1871 weight  0.1000E+01 volume 670.17908 ppm1 8.588 ppm2 2.740
ASSI {  1881}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 54  and name HB1  ))
     6 6 0 peak 1881 weight  0.1000E+01 volume 94.09920 ppm1 8.591 ppm2 1.830
ASSI {  1891}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 1891 weight  0.1000E+01 volume 172.72350 ppm1 8.590 ppm2 0.585
ASSI {  1901}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 53  and name HA  ))
     6 6 0 peak 1901 weight  0.1000E+01 volume 119.28350 ppm1 8.590 ppm2 3.583
ASSI {  1911}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 80  and name HN  ))
     6 6 0 peak 1911 weight  0.1000E+01 volume 39.67450 ppm1 8.433 ppm2 7.172
ASSI {  1921}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 79  and name HB1  ))
     6 6 0 peak 1921 weight  0.1000E+01 volume 218.96700 ppm1 8.435 ppm2 2.876
ASSI {  1931}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 78  and name HB  ))
     6 6 0 peak 1931 weight  0.1000E+01 volume 45.69920 ppm1 8.432 ppm2 2.288
ASSI {  1941}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 110  and name HB2  ))
     6 6 0 peak 1941 weight  0.1000E+01 volume 347.87381 ppm1 8.555 ppm2 2.175
ASSI {  1951}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 110  and name HA  ))
     6 6 0 peak 1951 weight  0.1000E+01 volume 300.26389 ppm1 8.555 ppm2 4.021
ASSI {  1961}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 110  and name HB1  ))
     6 6 0 peak 1961 weight  0.1000E+01 volume 317.64081 ppm1 8.551 ppm2 2.376
ASSI {  1971}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 110  and name HG1  ))
     6 6 0 peak 1971 weight  0.1000E+01 volume 45.74360 ppm1 8.555 ppm2 2.854
ASSI {  1981}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 112  and name HG1  ))
     6 6 0 peak 1981 weight  0.1000E+01 volume 176.03740 ppm1 7.934 ppm2 2.501
ASSI {  1991}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 112  and name HB1  ))
     6 6 0 peak 1991 weight  0.1000E+01 volume 278.08469 ppm1 7.929 ppm2 2.033
ASSI {  2001}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 113  and name HN  ))
     6 6 0 peak 2001 weight  0.1000E+01 volume 32.96260 ppm1 7.935 ppm2 8.845
ASSI {  2011}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 111  and name HN  ))
     6 6 0 peak 2011 weight  0.1000E+01 volume 42.20070 ppm1 7.931 ppm2 7.333
ASSI {  2021}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 112  and name HA  ))
     6 6 0 peak 2021 weight  0.1000E+01 volume 517.91388 ppm1 7.934 ppm2 4.111
ASSI {  2031}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 2031 weight  0.1000E+01 volume 17.53030 ppm1 7.929 ppm2 0.887
ASSI {  2041}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 112  and name HB2  ))
     6 6 0 peak 2041 weight  0.1000E+01 volume 95.46820 ppm1 7.929 ppm2 1.770
ASSI {  2051}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 16  and name HA  ))
     6 6 0 peak 2051 weight  0.1000E+01 volume 504.44171 ppm1 7.789 ppm2 3.929
ASSI {  2071}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 16  and name HB1  ))
     6 6 0 peak 2071 weight  0.1000E+01 volume 855.76349 ppm1 7.787 ppm2 2.110
ASSI {  2081}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 15  and name HB1  ))
     6 6 0 peak 2081 weight  0.1000E+01 volume 447.35989 ppm1 7.789 ppm2 1.880
ASSI {  2091}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 15  and name HG1  ))
     6 6 0 peak 2091 weight  0.1000E+01 volume 32.27550 ppm1 7.785 ppm2 1.557
ASSI {  2101}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 83  and name HB1  ))
     6 6 0 peak 2101 weight  0.1000E+01 volume 23.19460 ppm1 7.942 ppm2 1.457
ASSI {  2111}
  (( segid "PROT" and resid 75  and name HN  ))
  (( segid "PROT" and resid 75  and name HA  ))
     6 6 0 peak 2111 weight  0.1000E+01 volume 69.10570 ppm1 7.913 ppm2 4.233
ASSI {  2121}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 2121 weight  0.1000E+01 volume 404.57101 ppm1 7.945 ppm2 7.489
ASSI {  2131}
  (( segid "PROT" and resid 75  and name HN  ))
  (( segid "PROT" and resid 75  and name HB2  ))
     6 6 0 peak 2131 weight  0.1000E+01 volume 105.21650 ppm1 7.918 ppm2 3.285
ASSI {  2141}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 82  and name HB2  ))
     6 6 0 peak 2141 weight  0.1000E+01 volume 156.14619 ppm1 7.945 ppm2 3.100
ASSI {  2151}
  (( segid "PROT" and resid 75  and name HN  ))
  (( segid "PROT" and resid 73  and name HG2  ))
     6 6 0 peak 2151 weight  0.1000E+01 volume 26.43270 ppm1 7.920 ppm2 2.260
ASSI {  2161}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 111  and name HA  ))
     6 6 0 peak 2161 weight  0.1000E+01 volume 613.91870 ppm1 7.331 ppm2 4.115
ASSI {  2171}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 111  and name HB1  ))
     6 6 0 peak 2171 weight  0.1000E+01 volume 881.70422 ppm1 7.327 ppm2 2.285
ASSI {  2181}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 112  and name HN  ))
     6 6 0 peak 2181 weight  0.1000E+01 volume 53.84590 ppm1 7.329 ppm2 7.930
ASSI {  2191}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 111  and name HB2  ))
     6 6 0 peak 2191 weight  0.1000E+01 volume 359.24249 ppm1 7.328 ppm2 2.199
ASSI {  2201}
  (( segid "PROT" and resid 28  and name HE22  ))
  (( segid "PROT" and resid 28  and name HE21  ))
     6 6 0 peak 2201 weight  0.1000E+01 volume 334.65701 ppm1 6.994 ppm2 7.944
ASSI {  2211}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 42  and name HA  ))
     6 6 0 peak 2211 weight  0.1000E+01 volume 459.15811 ppm1 7.756 ppm2 4.039
ASSI {  2221}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 40  and name HB2  ))
     6 6 0 peak 2221 weight  0.1000E+01 volume 341.49570 ppm1 7.755 ppm2 2.365
ASSI {  2231}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 42  and name HB1  ))
     6 6 0 peak 2231 weight  0.1000E+01 volume 940.58240 ppm1 7.754 ppm2 2.121
ASSI {  2241}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 41  and name HB2  ))
     6 6 0 peak 2241 weight  0.1000E+01 volume 44.03380 ppm1 7.756 ppm2 1.730
ASSI {  2251}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 43  and name HN  ))
     6 6 0 peak 2251 weight  0.1000E+01 volume 436.21631 ppm1 7.755 ppm2 7.418
ASSI {  2261}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 98  and name HB  ))
     6 6 0 peak 2261 weight  0.1000E+01 volume 292.99319 ppm1 8.040 ppm2 1.585
ASSI {  2271}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 97  and name HG1  ))
     6 6 0 peak 2271 weight  0.1000E+01 volume 33.04640 ppm1 8.040 ppm2 1.001
ASSI {  2281}
  (( segid "PROT" and resid 70  and name HN  ))
  (( segid "PROT" and resid 70  and name HG1  ))
     6 6 0 peak 2281 weight  0.1000E+01 volume 300.25311 ppm1 8.376 ppm2 2.244
ASSI {  2291}
  (( segid "PROT" and resid 70  and name HN  ))
  (( segid "PROT" and resid 71  and name HN  ))
     6 6 0 peak 2291 weight  0.1000E+01 volume 166.34280 ppm1 8.376 ppm2 8.115
ASSI {  2301}
  (( segid "PROT" and resid 70  and name HN  ))
  (( segid "PROT" and resid 70  and name HA  ))
     6 6 0 peak 2301 weight  0.1000E+01 volume 253.35600 ppm1 8.376 ppm2 3.976
ASSI {  2311}
  (( segid "PROT" and resid 70  and name HN  ))
  (( segid "PROT" and resid 70  and name HB1  ))
     6 6 0 peak 2311 weight  0.1000E+01 volume 55.31380 ppm1 8.377 ppm2 2.008
ASSI {  2321}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 25  and name HB2  ))
     6 6 0 peak 2321 weight  0.1000E+01 volume 32.03940 ppm1 7.273 ppm2 1.086
ASSI {  2341}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 2341 weight  0.1000E+01 volume 53.81940 ppm1 8.028 ppm2 7.447
ASSI {  2351}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 92  and name HB1  ))
     6 6 0 peak 2351 weight  0.1000E+01 volume 173.20599 ppm1 7.634 ppm2 3.030
ASSI {  2361}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 118  and name HN  ))
     6 6 0 peak 2361 weight  0.1000E+01 volume 376.91119 ppm1 7.613 ppm2 8.036
ASSI {  2371}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 119  and name HA  ))
     6 6 0 peak 2371 weight  0.1000E+01 volume 448.29861 ppm1 7.615 ppm2 4.445
ASSI {  2381}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 119  and name HB1  ))
     6 6 0 peak 2381 weight  0.1000E+01 volume 759.92651 ppm1 7.616 ppm2 4.045
ASSI {  2391}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 50  and name HB1  ))
     6 6 0 peak 2391 weight  0.1000E+01 volume 73.26780 ppm1 8.509 ppm2 3.440
ASSI {  2401}
  (( segid "PROT" and resid 27  and name HN  ))
  (( segid "PROT" and resid 27  and name HA  ))
     6 6 0 peak 2401 weight  0.1000E+01 volume 534.31708 ppm1 7.832 ppm2 4.019
ASSI {  2411}
  (( segid "PROT" and resid 27  and name HN  ))
  (( segid "PROT" and resid 26  and name HB1  ))
     6 6 0 peak 2411 weight  0.1000E+01 volume 41.95860 ppm1 7.833 ppm2 2.908
ASSI {  2421}
  (( segid "PROT" and resid 70  and name HE21  ))
  (( segid "PROT" and resid 70  and name HE22  ))
     6 6 0 peak 2421 weight  0.1000E+01 volume 1976.35010 ppm1 7.312 ppm2 6.815
ASSI {  2431}
  (( segid "PROT" and resid 70  and name HE21  ))
  (( segid "PROT" and resid 70  and name HG1  ))
     6 6 0 peak 2431 weight  0.1000E+01 volume 148.54601 ppm1 7.306 ppm2 2.259
ASSI {  2441}
  (( segid "PROT" and resid 70  and name HE22  ))
  (( segid "PROT" and resid 70  and name HE21  ))
     6 6 0 peak 2441 weight  0.1000E+01 volume 2336.37427 ppm1 6.815 ppm2 7.312
ASSI {  2451}
  (( segid "PROT" and resid 70  and name HE22  ))
  (( segid "PROT" and resid 70  and name HG1  ))
     6 6 0 peak 2451 weight  0.1000E+01 volume 151.80600 ppm1 6.814 ppm2 2.252
ASSI {  2461}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 103  and name HA  ))
     6 6 0 peak 2461 weight  0.1000E+01 volume 87.54640 ppm1 8.455 ppm2 4.475
ASSI {  2471}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 103  and name HB1  ))
     6 6 0 peak 2471 weight  0.1000E+01 volume 53.04910 ppm1 8.458 ppm2 4.284
ASSI {  2481}
  (( segid "PROT" and resid 118  and name HE21  ))
  (( segid "PROT" and resid 118  and name HE22  ))
     6 6 0 peak 2481 weight  0.1000E+01 volume 7213.85693 ppm1 7.594 ppm2 6.770
ASSI {  2491}
  (( segid "PROT" and resid 118  and name HE22  ))
  (( segid "PROT" and resid 119  and name HN  ))
     6 6 0 peak 2491 weight  0.1000E+01 volume 7501.99658 ppm1 6.777 ppm2 7.594
ASSI {  2501}
  (( segid "PROT" and resid 118  and name HE22  ))
  (( segid "PROT" and resid 118  and name HG2  ))
     6 6 0 peak 2501 weight  0.1000E+01 volume 40.24470 ppm1 6.779 ppm2 2.510
ASSI {  2511}
  (( segid "PROT" and resid 121  and name HN  ))
  (( segid "PROT" and resid 120  and name HA  ))
     6 6 0 peak 2511 weight  0.1000E+01 volume 338.09189 ppm1 7.607 ppm2 4.449
ASSI {  2521}
  (( segid "PROT" and resid 121  and name HN  ))
  (( segid "PROT" and resid 121  and name HA1  ))
     6 6 0 peak 2521 weight  0.1000E+01 volume 2613.99658 ppm1 7.607 ppm2 3.846
ASSI {  2531}
  (( segid "PROT" and resid 121  and name HN  ))
  (( segid "PROT" and resid 120  and name HB1  ))
     6 6 0 peak 2531 weight  0.1000E+01 volume 467.21979 ppm1 7.606 ppm2 1.797
ASSI {  2541}
  (( segid "PROT" and resid 42  and name HE21  ))
  (( segid "PROT" and resid 42  and name HE22  ))
     6 6 0 peak 2541 weight  0.1000E+01 volume 2553.42993 ppm1 7.656 ppm2 6.874
ASSI {  2551}
  (( segid "PROT" and resid 42  and name HE22  ))
  (( segid "PROT" and resid 42  and name HE21  ))
     6 6 0 peak 2551 weight  0.1000E+01 volume 3712.03394 ppm1 6.878 ppm2 7.659
ASSI {  2561}
  (( segid "PROT" and resid 29  and name HN  ))
  (( segid "PROT" and resid 28  and name HA  ))
     6 6 0 peak 2561 weight  0.1000E+01 volume 497.00391 ppm1 8.261 ppm2 4.134
ASSI {  2571}
  (( segid "PROT" and resid 29  and name HN  ))
  (( segid "PROT" and resid 29  and name HB1  ))
     6 6 0 peak 2571 weight  0.1000E+01 volume 191.51019 ppm1 8.259 ppm2 2.804
ASSI {  2581}
  (( segid "PROT" and resid 16  and name HE21  ))
  (( segid "PROT" and resid 16  and name HG1  ))
     6 6 0 peak 2581 weight  0.1000E+01 volume 448.50589 ppm1 7.593 ppm2 2.500
ASSI {  2591}
  (( segid "PROT" and resid 16  and name HE21  ))
  (( segid "PROT" and resid 16  and name HE22  ))
     6 6 0 peak 2591 weight  0.1000E+01 volume 8152.99609 ppm1 7.593 ppm2 6.819
ASSI {  2601}
  (( segid "PROT" and resid 16  and name HE22  ))
  (( segid "PROT" and resid 16  and name HE21  ))
     6 6 0 peak 2601 weight  0.1000E+01 volume 7351.96875 ppm1 6.829 ppm2 7.588
ASSI {  2611}
  (( segid "PROT" and resid 16  and name HE22  ))
  (( segid "PROT" and resid 16  and name HG1  ))
     6 6 0 peak 2611 weight  0.1000E+01 volume 148.95151 ppm1 6.817 ppm2 2.505
ASSI {  2621}
  (( segid "PROT" and resid 37  and name HE21  ))
  (( segid "PROT" and resid 37  and name HG2  ))
     6 6 0 peak 2621 weight  0.1000E+01 volume 319.68109 ppm1 7.426 ppm2 2.105
ASSI {  2631}
  (( segid "PROT" and resid 86  and name HD22  ))
  (( segid "PROT" and resid 86  and name HD21  ))
     6 6 0 peak 2631 weight  0.1000E+01 volume 91.06700 ppm1 7.211 ppm2 7.791
ASSI {  2641}
  (( segid "PROT" and resid 16  and name HE22  ))
  (( segid "PROT" and resid 16  and name HB1  ))
     6 6 0 peak 2641 weight  0.1000E+01 volume 86.49700 ppm1 6.838 ppm2 2.101
ASSI {  2651}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 17  and name HN  ))
     6 6 0 peak 2651 weight  0.1000E+01 volume 34.44670 ppm1 7.989 ppm2 7.449
ASSI {  2661}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 2661 weight  0.1000E+01 volume 53.00740 ppm1 7.991 ppm2 0.271
ASSI {  2671}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 2671 weight  0.1000E+01 volume 428.38641 ppm1 7.990 ppm2 1.358
ASSI {  2681}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 18  and name HA  ))
     6 6 0 peak 2681 weight  0.1000E+01 volume 31.71940 ppm1 7.989 ppm2 4.199
ASSI {  2711}
  (( segid "PROT" and resid 75  and name HE1  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 2711 weight  0.1000E+01 volume 1269.40894 ppm1 10.292 ppm2 7.508
ASSI {  2731}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 68  and name HN  ))
     6 6 0 peak 2731 weight  0.1000E+01 volume 60.33340 ppm1 7.429 ppm2 7.746
ASSI {  2741}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 68  and name HA  ))
     6 6 0 peak 2741 weight  0.1000E+01 volume 98.04800 ppm1 7.431 ppm2 4.528
ASSI {  2751}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 69  and name HA1  ))
     6 6 0 peak 2751 weight  0.1000E+01 volume 445.68069 ppm1 7.431 ppm2 4.277
ASSI {  2761}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 69  and name HA2  ))
     6 6 0 peak 2761 weight  0.1000E+01 volume 642.67078 ppm1 7.429 ppm2 3.932
ASSI {  2771}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 2771 weight  0.1000E+01 volume 71.94930 ppm1 7.281 ppm2 -0.587
ASSI {  2781}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 46  and name HG2#  ))
     6 6 0 peak 2781 weight  0.1000E+01 volume 22.69140 ppm1 7.388 ppm2 0.984
ASSI {  2801}
  (( segid "PROT" and resid 89  and name HE1  ))
  (( segid "PROT" and resid 89  and name HD1  ))
     6 6 0 peak 2801 weight  0.1000E+01 volume 444.83179 ppm1 8.853 ppm2 4.982
ASSI {  2811}
  (( segid "PROT" and resid 89  and name HE1  ))
  (( segid "PROT" and resid 103  and name HA  ))
     6 6 0 peak 2811 weight  0.1000E+01 volume 168.98450 ppm1 8.854 ppm2 4.482
ASSI {  2821}
  (( segid "PROT" and resid 89  and name HE1  ))
  (( segid "PROT" and resid 102  and name HB1  ))
     6 6 0 peak 2821 weight  0.1000E+01 volume 109.08310 ppm1 8.852 ppm2 3.092
ASSI {  2831}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 2831 weight  0.1000E+01 volume 229.51289 ppm1 7.478 ppm2 1.323
ASSI {  2841}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 8  and name HG11  ))
     6 6 0 peak 2841 weight  0.1000E+01 volume 88.35650 ppm1 8.938 ppm2 1.441
ASSI {  2851}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 8  and name HN  ))
     6 6 0 peak 2851 weight  0.1000E+01 volume 25.84730 ppm1 8.938 ppm2 8.036
ASSI {  2861}
  (( segid "PROT" and resid 39  and name HN  ))
  (( segid "PROT" and resid 38  and name HA  ))
     6 6 0 peak 2861 weight  0.1000E+01 volume 246.94420 ppm1 8.450 ppm2 4.079
ASSI {  2871}
  (( segid "PROT" and resid 39  and name HN  ))
  (( segid "PROT" and resid 39  and name HB  ))
     6 6 0 peak 2871 weight  0.1000E+01 volume 106.93270 ppm1 8.450 ppm2 1.204
ASSI {  2881}
  (( segid "PROT" and resid 39  and name HN  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 2881 weight  0.1000E+01 volume 36.18050 ppm1 8.452 ppm2 -0.587
ASSI {  2891}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 68  and name HA  ))
     6 6 0 peak 2891 weight  0.1000E+01 volume 190.92650 ppm1 7.748 ppm2 4.526
ASSI {  2901}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 67  and name HB1  ))
     6 6 0 peak 2901 weight  0.1000E+01 volume 21.23220 ppm1 7.745 ppm2 2.866
ASSI {  2911}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 2911 weight  0.1000E+01 volume 141.89230 ppm1 7.748 ppm2 1.232
ASSI {  2921}
  (( segid "PROT" and resid 22  and name HN  ))
  (( segid "PROT" and resid 21  and name HN  ))
     6 6 0 peak 2921 weight  0.1000E+01 volume 136.17210 ppm1 7.047 ppm2 7.482
ASSI {  2931}
  (( segid "PROT" and resid 22  and name HN  ))
  (( segid "PROT" and resid 22  and name HA  ))
     6 6 0 peak 2931 weight  0.1000E+01 volume 76.98230 ppm1 7.048 ppm2 4.304
ASSI {  2941}
  (( segid "PROT" and resid 61  and name HN  ))
  (( segid "PROT" and resid 61  and name HA  ))
     6 6 0 peak 2941 weight  0.1000E+01 volume 84.71430 ppm1 7.286 ppm2 3.911
ASSI {  2951}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 2951 weight  0.1000E+01 volume 198.93460 ppm1 7.990 ppm2 1.006
ASSI {  2961}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 30  and name HA  ))
     6 6 0 peak 2961 weight  0.1000E+01 volume 37.97660 ppm1 9.474 ppm2 5.045
ASSI {  2971}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 11  and name HD1  ))
     6 6 0 peak 2971 weight  0.1000E+01 volume 26.19320 ppm1 9.226 ppm2 3.981
ASSI {  2981}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 9  and name HN  ))
     6 6 0 peak 2981 weight  0.1000E+01 volume 65.84580 ppm1 9.225 ppm2 8.944
ASSI {  2991}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 2991 weight  0.1000E+01 volume 152.86000 ppm1 9.226 ppm2 7.333
ASSI {  3011}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 31  and name HB1  ))
     6 6 0 peak 3011 weight  0.1000E+01 volume 78.35430 ppm1 8.011 ppm2 1.588
ASSI {  3021}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 3021 weight  0.1000E+01 volume 36.34390 ppm1 8.012 ppm2 0.546
ASSI {  3031}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 32  and name HB2  ))
     6 6 0 peak 3031 weight  0.1000E+01 volume 68.53570 ppm1 8.010 ppm2 3.680
ASSI {  3041}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 32  and name HA  ))
     6 6 0 peak 3041 weight  0.1000E+01 volume 110.82140 ppm1 8.012 ppm2 4.382
ASSI {  3051}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 20  and name HD2  ))
     6 6 0 peak 3051 weight  0.1000E+01 volume 53.19300 ppm1 8.675 ppm2 3.333
ASSI {  3061}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 19  and name HA  ))
     6 6 0 peak 3061 weight  0.1000E+01 volume 92.09610 ppm1 8.675 ppm2 4.428
ASSI {  3071}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 19  and name HG1  ))
     6 6 0 peak 3071 weight  0.1000E+01 volume 29.84210 ppm1 8.674 ppm2 2.668
ASSI {  3081}
  (( segid "PROT" and resid 54  and name HN  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 3081 weight  0.1000E+01 volume 297.84171 ppm1 7.662 ppm2 0.585
ASSI {  3091}
  (( segid "PROT" and resid 94  and name HN  ))
  (( segid "PROT" and resid 94  and name HB2  ))
     6 6 0 peak 3091 weight  0.1000E+01 volume 26.04190 ppm1 8.824 ppm2 1.739
ASSI {  3101}
  (( segid "PROT" and resid 94  and name HN  ))
  (( segid "PROT" and resid 94  and name HG1  ))
     6 6 0 peak 3101 weight  0.1000E+01 volume 29.79780 ppm1 8.815 ppm2 1.403
ASSI {  3111}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 52  and name HN  ))
     6 6 0 peak 3111 weight  0.1000E+01 volume 35.95540 ppm1 8.618 ppm2 7.182
ASSI {  3121}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 52  and name HB  ))
     6 6 0 peak 3121 weight  0.1000E+01 volume 58.28810 ppm1 8.617 ppm2 1.862
ASSI {  3131}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 116  and name HB  ))
     6 6 0 peak 3131 weight  0.1000E+01 volume 168.71780 ppm1 6.978 ppm2 2.051
ASSI {  3141}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 110  and name HA  ))
     6 6 0 peak 3141 weight  0.1000E+01 volume 69.04790 ppm1 6.977 ppm2 3.991
ASSI {  3151}
  (( segid "PROT" and resid 95  and name HN  ))
  (( segid "PROT" and resid 93  and name HB2  ))
     6 6 0 peak 3151 weight  0.1000E+01 volume 16.12510 ppm1 6.880 ppm2 1.734
ASSI {  3161}
  (( segid "PROT" and resid 95  and name HN  ))
  (( segid "PROT" and resid 94  and name HB1  ))
     6 6 0 peak 3161 weight  0.1000E+01 volume 78.81520 ppm1 6.879 ppm2 1.397
ASSI {  3171}
  (( segid "PROT" and resid 95  and name HN  ))
  (( segid "PROT" and resid 95  and name HG2#  ))
     6 6 0 peak 3171 weight  0.1000E+01 volume 185.35271 ppm1 6.878 ppm2 1.129
ASSI {  3191}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 49  and name HB2  ))
     6 6 0 peak 3191 weight  0.1000E+01 volume 125.16020 ppm1 7.997 ppm2 2.053
ASSI {  3201}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 46  and name HG11  ))
     6 6 0 peak 3201 weight  0.1000E+01 volume 59.06270 ppm1 7.996 ppm2 1.715
ASSI {  3221}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 3221 weight  0.1000E+01 volume 27.77840 ppm1 7.168 ppm2 1.164
ASSI {  3231}
  (( segid "PROT" and resid 36  and name HE  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 3231 weight  0.1000E+01 volume 52.86650 ppm1 6.444 ppm2 0.844
ASSI {  3241}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 3241 weight  0.1000E+01 volume 45.73490 ppm1 7.408 ppm2 0.344
ASSI {  3251}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 77  and name HA  ))
     6 6 0 peak 3251 weight  0.1000E+01 volume 26.08310 ppm1 7.409 ppm2 3.355
ASSI {  3261}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 89  and name HB2  ))
     6 6 0 peak 3261 weight  0.1000E+01 volume 74.83130 ppm1 7.311 ppm2 3.112
ASSI {  3271}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 3271 weight  0.1000E+01 volume 184.35710 ppm1 9.171 ppm2 7.064
ASSI {  3281}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 101  and name HB2  ))
     6 6 0 peak 3281 weight  0.1000E+01 volume 90.04870 ppm1 9.169 ppm2 3.638
ASSI {  3291}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 100  and name HG2  ))
     6 6 0 peak 3291 weight  0.1000E+01 volume 175.93210 ppm1 9.170 ppm2 1.588
ASSI {  3301}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 57  and name HE#  ))
     6 6 0 peak 3301 weight  0.1000E+01 volume 294.46960 ppm1 7.262 ppm2 2.004
ASSI {  3311}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 61  and name HB  ))
     6 6 0 peak 3311 weight  0.1000E+01 volume 58.19740 ppm1 7.266 ppm2 4.254
ASSI {  3321}
  (( segid "PROT" and resid 72  and name HN  ))
  (( segid "PROT" and resid 73  and name HN  ))
     6 6 0 peak 3321 weight  0.1000E+01 volume 110.72500 ppm1 8.903 ppm2 7.662
ASSI {  3331}
  (( segid "PROT" and resid 72  and name HN  ))
  (( segid "PROT" and resid 71  and name HD1  ))
     6 6 0 peak 3331 weight  0.1000E+01 volume 19.50260 ppm1 8.901 ppm2 6.887
ASSI {  3341}
  (( segid "PROT" and resid 72  and name HN  ))
  (( segid "PROT" and resid 72  and name HA  ))
     6 6 0 peak 3341 weight  0.1000E+01 volume 28.60060 ppm1 8.899 ppm2 4.298
ASSI {  3351}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 3351 weight  0.1000E+01 volume 76.35150 ppm1 7.963 ppm2 7.011
ASSI {  3361}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 107  and name HA  ))
     6 6 0 peak 3361 weight  0.1000E+01 volume 49.81970 ppm1 7.961 ppm2 4.153
ASSI {  3371}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 106  and name HA  ))
     6 6 0 peak 3371 weight  0.1000E+01 volume 153.43420 ppm1 7.964 ppm2 3.398
ASSI {  3381}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 105  and name HB1  ))
     6 6 0 peak 3381 weight  0.1000E+01 volume 91.03400 ppm1 7.964 ppm2 1.463
ASSI {  3391}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 107  and name HG1  ))
     6 6 0 peak 3391 weight  0.1000E+01 volume 93.16120 ppm1 7.790 ppm2 2.509
ASSI {  3401}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 107  and name HA  ))
     6 6 0 peak 3401 weight  0.1000E+01 volume 77.52170 ppm1 7.793 ppm2 4.140
ASSI {  3411}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 109  and name HN  ))
     6 6 0 peak 3411 weight  0.1000E+01 volume 95.03210 ppm1 7.789 ppm2 9.075
ASSI {  3421}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 3421 weight  0.1000E+01 volume 107.29930 ppm1 6.291 ppm2 6.724
ASSI {  3431}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 3431 weight  0.1000E+01 volume 62.17530 ppm1 6.290 ppm2 3.787
ASSI {  3441}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 77  and name HB1  ))
     6 6 0 peak 3441 weight  0.1000E+01 volume 129.75720 ppm1 6.290 ppm2 2.655
ASSI {  3451}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 102  and name HB2  ))
     6 6 0 peak 3451 weight  0.1000E+01 volume 54.46630 ppm1 8.544 ppm2 2.731
ASSI {  3461}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 102  and name HB1  ))
     6 6 0 peak 3461 weight  0.1000E+01 volume 59.91900 ppm1 8.545 ppm2 3.077
ASSI {  3471}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 3471 weight  0.1000E+01 volume 37.77280 ppm1 8.569 ppm2 0.829
ASSI {  3481}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 14  and name HN  ))
     6 6 0 peak 3481 weight  0.1000E+01 volume 427.45901 ppm1 7.203 ppm2 7.859
ASSI {  3491}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 12  and name HN  ))
     6 6 0 peak 3491 weight  0.1000E+01 volume 64.90770 ppm1 7.208 ppm2 9.749
ASSI {  3501}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 3501 weight  0.1000E+01 volume 70.05410 ppm1 9.132 ppm2 1.222
ASSI {  3511}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 107  and name HB1  ))
     6 6 0 peak 3511 weight  0.1000E+01 volume 57.77100 ppm1 7.964 ppm2 2.234
ASSI {  3521}
  (( segid "PROT" and resid 23  and name HN  ))
  (( segid "PROT" and resid 22  and name HN  ))
     6 6 0 peak 3521 weight  0.1000E+01 volume 78.65480 ppm1 8.767 ppm2 7.038
ASSI {  3531}
  (( segid "PROT" and resid 23  and name HN  ))
  (( segid "PROT" and resid 20  and name HA  ))
     6 6 0 peak 3531 weight  0.1000E+01 volume 81.11500 ppm1 8.764 ppm2 4.439
ASSI {  3541}
  (( segid "PROT" and resid 23  and name HN  ))
  (( segid "PROT" and resid 23  and name HA  ))
     6 6 0 peak 3541 weight  0.1000E+01 volume 97.01350 ppm1 8.766 ppm2 4.025
ASSI {  3551}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 88  and name HN  ))
     6 6 0 peak 3551 weight  0.1000E+01 volume 103.10170 ppm1 8.664 ppm2 7.304
ASSI {  3561}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 109  and name HB2  ))
     6 6 0 peak 3561 weight  0.1000E+01 volume 40.63860 ppm1 9.077 ppm2 3.041
ASSI {  3571}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 108  and name HB  ))
     6 6 0 peak 3571 weight  0.1000E+01 volume 104.60520 ppm1 9.079 ppm2 2.171
ASSI {  3581}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 3581 weight  0.1000E+01 volume 68.77570 ppm1 8.924 ppm2 1.113
ASSI {  3591}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 87  and name HB2  ))
     6 6 0 peak 3591 weight  0.1000E+01 volume 476.14499 ppm1 8.922 ppm2 2.760
ASSI {  3601}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 51  and name HB2  ))
     6 6 0 peak 3601 weight  0.1000E+01 volume 17.56420 ppm1 7.182 ppm2 2.711
ASSI {  3611}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 52  and name HB  ))
     6 6 0 peak 3611 weight  0.1000E+01 volume 66.48020 ppm1 7.179 ppm2 1.867
ASSI {  3621}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 52  and name HG12  ))
     6 6 0 peak 3621 weight  0.1000E+01 volume 25.36770 ppm1 7.185 ppm2 1.424
ASSI {  3631}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 3631 weight  0.1000E+01 volume 86.76710 ppm1 7.183 ppm2 1.034
ASSI {  3641}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 3641 weight  0.1000E+01 volume 114.93140 ppm1 9.079 ppm2 7.027
ASSI {  3651}
  (( segid "PROT" and resid 23  and name HN  ))
  (( segid "PROT" and resid 23  and name HB1  ))
     6 6 0 peak 3651 weight  0.1000E+01 volume 543.20508 ppm1 8.766 ppm2 2.054
ASSI {  3661}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 3661 weight  0.1000E+01 volume 225.19160 ppm1 8.774 ppm2 1.122
ASSI {  3671}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 52  and name HA  ))
     6 6 0 peak 3671 weight  0.1000E+01 volume 29.36340 ppm1 7.180 ppm2 4.011
ASSI {  3681}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 23  and name HN  ))
     6 6 0 peak 3681 weight  0.1000E+01 volume 174.98650 ppm1 7.577 ppm2 8.770
ASSI {  3691}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 103  and name HA  ))
     6 6 0 peak 3691 weight  0.1000E+01 volume 19.34700 ppm1 8.009 ppm2 4.454
ASSI {  3701}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 109  and name HB1  ))
     6 6 0 peak 3701 weight  0.1000E+01 volume 85.93380 ppm1 9.078 ppm2 3.358
ASSI {  3711}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 107  and name HA  ))
     6 6 0 peak 3711 weight  0.1000E+01 volume 167.24530 ppm1 7.487 ppm2 4.147
ASSI {  3721}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 3721 weight  0.1000E+01 volume 59.37840 ppm1 8.014 ppm2 3.625
ASSI {  3731}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 106  and name HA  ))
     6 6 0 peak 3731 weight  0.1000E+01 volume 7.68130 ppm1 8.016 ppm2 3.412
ASSI {  3741}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 108  and name HN  ))
     6 6 0 peak 3741 weight  0.1000E+01 volume 177.63910 ppm1 7.487 ppm2 7.798
ASSI {  3751}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 85  and name HN  ))
     6 6 0 peak 3751 weight  0.1000E+01 volume 198.63710 ppm1 9.601 ppm2 7.485
ASSI {  3761}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 86  and name HB1  ))
     6 6 0 peak 3761 weight  0.1000E+01 volume 172.94820 ppm1 9.604 ppm2 3.138
ASSI {  3771}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 86  and name HB2  ))
     6 6 0 peak 3771 weight  0.1000E+01 volume 141.57570 ppm1 9.603 ppm2 2.930
ASSI {  3781}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 116  and name HB  ))
     6 6 0 peak 3781 weight  0.1000E+01 volume 934.59412 ppm1 8.460 ppm2 2.047
ASSI {  3791}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 3791 weight  0.1000E+01 volume 131.52690 ppm1 8.459 ppm2 0.647
ASSI {  3801}
  (( segid "PROT" and resid 100  and name HN  ))
  (( segid "PROT" and resid 103  and name HB2  ))
     6 6 0 peak 3801 weight  0.1000E+01 volume 17.87900 ppm1 7.764 ppm2 4.089
ASSI {  3811}
  (( segid "PROT" and resid 100  and name HN  ))
  (( segid "PROT" and resid 100  and name HG1  ))
     6 6 0 peak 3811 weight  0.1000E+01 volume 242.38840 ppm1 7.758 ppm2 1.720
ASSI {  3831}
  (( segid "PROT" and resid 96  and name HN  ))
  (( segid "PROT" and resid 99  and name HD1  ))
     6 6 0 peak 3831 weight  0.1000E+01 volume 20.51730 ppm1 7.861 ppm2 7.122
ASSI {  3851}
  (( segid "PROT" and resid 48  and name HN  ))
  (( segid "PROT" and resid 47  and name HB1  ))
     6 6 0 peak 3851 weight  0.1000E+01 volume 393.57800 ppm1 8.423 ppm2 2.236
ASSI {  3861}
  (( segid "PROT" and resid 93  and name HN  ))
  (( segid "PROT" and resid 92  and name HA  ))
     6 6 0 peak 3861 weight  0.1000E+01 volume 189.64650 ppm1 8.796 ppm2 4.643
ASSI {  3871}
  (( segid "PROT" and resid 12  and name HN  ))
  (( segid "PROT" and resid 13  and name HN  ))
     6 6 0 peak 3871 weight  0.1000E+01 volume 103.38160 ppm1 9.748 ppm2 7.201
ASSI {  3881}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 3881 weight  0.1000E+01 volume 24.73200 ppm1 8.034 ppm2 0.785
ASSI {  3891}
  (( segid "PROT" and resid 64  and name HN  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 3891 weight  0.1000E+01 volume 48.74400 ppm1 7.812 ppm2 1.175
ASSI {  3901}
  (( segid "PROT" and resid 64  and name HN  ))
  (( segid "PROT" and resid 63  and name HE1  ))
     6 6 0 peak 3901 weight  0.1000E+01 volume 41.62970 ppm1 7.812 ppm2 2.868
ASSI {  3911}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 115  and name HA  ))
     6 6 0 peak 3911 weight  0.1000E+01 volume 136.61411 ppm1 6.560 ppm2 4.288
ASSI {  3921}
  (( segid "PROT" and resid 113  and name HN  ))
  (( segid "PROT" and resid 112  and name HG1  ))
     6 6 0 peak 3921 weight  0.1000E+01 volume 80.02820 ppm1 8.831 ppm2 2.510
ASSI {  3931}
  (( segid "PROT" and resid 113  and name HN  ))
  (( segid "PROT" and resid 112  and name HB2  ))
     6 6 0 peak 3931 weight  0.1000E+01 volume 21.75080 ppm1 8.828 ppm2 1.758
ASSI {  3941}
  (( segid "PROT" and resid 113  and name HN  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 3941 weight  0.1000E+01 volume 92.07550 ppm1 8.830 ppm2 1.278
ASSI {  3951}
  (( segid "PROT" and resid 113  and name HN  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 3951 weight  0.1000E+01 volume 431.53281 ppm1 8.833 ppm2 0.714
ASSI {  3961}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 3961 weight  0.1000E+01 volume 7.68960 ppm1 8.115 ppm2 0.850
ASSI {  3971}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 71  and name HD1  ))
     6 6 0 peak 3971 weight  0.1000E+01 volume 129.64140 ppm1 8.114 ppm2 6.869
ASSI {  3981}
  (( segid "PROT" and resid 36  and name HN  ))
  (( segid "PROT" and resid 36  and name HA  ))
     6 6 0 peak 3981 weight  0.1000E+01 volume 133.68919 ppm1 7.164 ppm2 3.940
ASSI {  3991}
  (( segid "PROT" and resid 36  and name HH12  ))
  (( segid "PROT" and resid 36  and name HD1  ))
     6 6 0 peak 3991 weight  0.1000E+01 volume 23.45500 ppm1 7.168 ppm2 3.234
ASSI {  4001}
  (( segid "PROT" and resid 36  and name HN  ))
  (( segid "PROT" and resid 36  and name HB2  ))
     6 6 0 peak 4001 weight  0.1000E+01 volume 74.69580 ppm1 7.167 ppm2 1.908
ASSI {  4011}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 62  and name HG11  ))
     6 6 0 peak 4011 weight  0.1000E+01 volume 29.09990 ppm1 8.113 ppm2 1.105
ASSI {  4021}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 27  and name HN  ))
     6 6 0 peak 4021 weight  0.1000E+01 volume 287.72650 ppm1 7.292 ppm2 7.848
ASSI {  4031}
  (( segid "PROT" and resid 84  and name HN  ))
  (( segid "PROT" and resid 83  and name HB1  ))
     6 6 0 peak 4031 weight  0.1000E+01 volume 17.10630 ppm1 7.304 ppm2 1.446
ASSI {  4041}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 28  and name HB1  ))
     6 6 0 peak 4041 weight  0.1000E+01 volume 649.83539 ppm1 7.292 ppm2 2.067
ASSI {  4051}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 26  and name HA  ))
     6 6 0 peak 4051 weight  0.1000E+01 volume 105.88350 ppm1 7.295 ppm2 3.704
ASSI {  4061}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 18  and name HN  ))
     6 6 0 peak 4061 weight  0.1000E+01 volume 192.48421 ppm1 7.447 ppm2 7.993
ASSI {  4071}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 4071 weight  0.1000E+01 volume 29.64480 ppm1 7.451 ppm2 0.789
ASSI {  4081}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 4081 weight  0.1000E+01 volume 41.00420 ppm1 7.448 ppm2 0.273
ASSI {  4091}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 4091 weight  0.1000E+01 volume 151.33760 ppm1 8.589 ppm2 5.244
ASSI {  4101}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 54  and name HB2  ))
     6 6 0 peak 4101 weight  0.1000E+01 volume 246.04610 ppm1 8.590 ppm2 1.656
ASSI {  4111}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 4111 weight  0.1000E+01 volume 76.96890 ppm1 8.590 ppm2 1.099
ASSI {  4121}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 79  and name HA  ))
     6 6 0 peak 4121 weight  0.1000E+01 volume 216.37140 ppm1 8.432 ppm2 4.576
ASSI {  4131}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 25  and name HN  ))
     6 6 0 peak 4131 weight  0.1000E+01 volume 79.33880 ppm1 7.894 ppm2 7.277
ASSI {  4141}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 26  and name HB1  ))
     6 6 0 peak 4141 weight  0.1000E+01 volume 1065.32288 ppm1 7.894 ppm2 2.910
ASSI {  4151}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 17  and name HA  ))
     6 6 0 peak 4151 weight  0.1000E+01 volume 548.13220 ppm1 7.446 ppm2 4.188
ASSI {  4161}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 109  and name HB2  ))
     6 6 0 peak 4161 weight  0.1000E+01 volume 67.86320 ppm1 8.558 ppm2 3.038
ASSI {  4171}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 106  and name HA  ))
     6 6 0 peak 4171 weight  0.1000E+01 volume 31.67220 ppm1 8.555 ppm2 3.367
ASSI {  4181}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 4181 weight  0.1000E+01 volume 66.08200 ppm1 8.556 ppm2 0.900
ASSI {  4191}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 15  and name HN  ))
     6 6 0 peak 4191 weight  0.1000E+01 volume 202.81100 ppm1 7.789 ppm2 8.147
ASSI {  4201}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 17  and name HN  ))
     6 6 0 peak 4201 weight  0.1000E+01 volume 212.29050 ppm1 7.787 ppm2 7.445
ASSI {  4211}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 14  and name HB2  ))
     6 6 0 peak 4211 weight  0.1000E+01 volume 124.23880 ppm1 7.789 ppm2 1.371
ASSI {  4221}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 59  and name HN  ))
     6 6 0 peak 4221 weight  0.1000E+01 volume 57.59720 ppm1 8.240 ppm2 8.816
ASSI {  4231}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 61  and name HN  ))
     6 6 0 peak 4231 weight  0.1000E+01 volume 35.10890 ppm1 8.237 ppm2 7.284
ASSI {  4241}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 60  and name HA  ))
     6 6 0 peak 4241 weight  0.1000E+01 volume 162.92340 ppm1 8.234 ppm2 4.248
ASSI {  4251}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 60  and name HB2  ))
     6 6 0 peak 4251 weight  0.1000E+01 volume 152.43320 ppm1 8.238 ppm2 3.951
ASSI {  4261}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 63  and name HB1  ))
     6 6 0 peak 4261 weight  0.1000E+01 volume 13.60650 ppm1 8.235 ppm2 1.978
ASSI {  4271}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 4271 weight  0.1000E+01 volume 15.38880 ppm1 8.234 ppm2 1.141
ASSI {  4281}
  (( segid "PROT" and resid 75  and name HN  ))
  (( segid "PROT" and resid 76  and name HN  ))
     6 6 0 peak 4281 weight  0.1000E+01 volume 352.75681 ppm1 7.923 ppm2 6.968
ASSI {  4291}
  (( segid "PROT" and resid 75  and name HN  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 4291 weight  0.1000E+01 volume 112.19710 ppm1 7.911 ppm2 3.762
ASSI {  4301}
  (( segid "PROT" and resid 75  and name HN  ))
  (( segid "PROT" and resid 74  and name HD1  ))
     6 6 0 peak 4301 weight  0.1000E+01 volume 27.68830 ppm1 7.912 ppm2 2.761
ASSI {  4311}
  (( segid "PROT" and resid 75  and name HN  ))
  (( segid "PROT" and resid 74  and name HB1  ))
     6 6 0 peak 4311 weight  0.1000E+01 volume 153.01340 ppm1 7.911 ppm2 1.820
ASSI {  4321}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 81  and name HB  ))
     6 6 0 peak 4321 weight  0.1000E+01 volume 118.68230 ppm1 7.949 ppm2 0.887
ASSI {  4331}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 4331 weight  0.1000E+01 volume 19.47900 ppm1 7.951 ppm2 -0.258
ASSI {  4341}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 110  and name HN  ))
     6 6 0 peak 4341 weight  0.1000E+01 volume 241.36320 ppm1 7.329 ppm2 8.560
ASSI {  4351}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 41  and name HD1  ))
     6 6 0 peak 4351 weight  0.1000E+01 volume 292.46078 ppm1 7.756 ppm2 3.764
ASSI {  4361}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 98  and name HA  ))
     6 6 0 peak 4361 weight  0.1000E+01 volume 66.39120 ppm1 8.038 ppm2 3.232
ASSI {  4381}
  (( segid "PROT" and resid 70  and name HN  ))
  (( segid "PROT" and resid 69  and name HN  ))
     6 6 0 peak 4381 weight  0.1000E+01 volume 77.62330 ppm1 8.377 ppm2 7.428
ASSI {  4391}
  (( segid "PROT" and resid 70  and name HN  ))
  (( segid "PROT" and resid 69  and name HA1  ))
     6 6 0 peak 4391 weight  0.1000E+01 volume 79.37280 ppm1 8.376 ppm2 4.281
ASSI {  4401}
  (( segid "PROT" and resid 70  and name HN  ))
  (( segid "PROT" and resid 70  and name HB2  ))
     6 6 0 peak 4401 weight  0.1000E+01 volume 104.42640 ppm1 8.378 ppm2 1.094
ASSI {  4411}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 25  and name HA  ))
     6 6 0 peak 4411 weight  0.1000E+01 volume 165.56641 ppm1 7.272 ppm2 4.104
ASSI {  4421}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 4421 weight  0.1000E+01 volume 208.32950 ppm1 7.273 ppm2 1.421
ASSI {  4431}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 36  and name HG1  ))
     6 6 0 peak 4431 weight  0.1000E+01 volume 119.76340 ppm1 8.028 ppm2 2.197
ASSI {  4441}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 117  and name HB1  ))
     6 6 0 peak 4441 weight  0.1000E+01 volume 1115.61731 ppm1 7.610 ppm2 2.091
ASSI {  4451}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 4451 weight  0.1000E+01 volume 94.03080 ppm1 7.609 ppm2 0.893
ASSI {  4471}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 92  and name HA  ))
     6 6 0 peak 4471 weight  0.1000E+01 volume 104.48820 ppm1 7.634 ppm2 4.645
ASSI {  4481}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 88  and name HA  ))
     6 6 0 peak 4481 weight  0.1000E+01 volume 73.13490 ppm1 7.638 ppm2 4.332
ASSI {  4491}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 51  and name HN  ))
     6 6 0 peak 4491 weight  0.1000E+01 volume 108.90380 ppm1 8.508 ppm2 7.639
ASSI {  4501}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 4501 weight  0.1000E+01 volume 223.08060 ppm1 8.510 ppm2 7.428
ASSI {  4511}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 50  and name HA  ))
     6 6 0 peak 4511 weight  0.1000E+01 volume 206.79539 ppm1 8.506 ppm2 4.865
ASSI {  4521}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 50  and name HB2  ))
     6 6 0 peak 4521 weight  0.1000E+01 volume 271.98889 ppm1 8.510 ppm2 2.964
ASSI {  4531}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 53  and name HB  ))
     6 6 0 peak 4531 weight  0.1000E+01 volume 26.05920 ppm1 8.509 ppm2 1.056
ASSI {  4541}
  (( segid "PROT" and resid 27  and name HN  ))
  (( segid "PROT" and resid 28  and name HN  ))
     6 6 0 peak 4541 weight  0.1000E+01 volume 150.56911 ppm1 7.830 ppm2 7.288
ASSI {  4551}
  (( segid "PROT" and resid 27  and name HN  ))
  (( segid "PROT" and resid 27  and name HB1  ))
     6 6 0 peak 4551 weight  0.1000E+01 volume 522.45898 ppm1 7.833 ppm2 1.874
ASSI {  4561}
  (( segid "PROT" and resid 118  and name HE21  ))
  (( segid "PROT" and resid 118  and name HG2  ))
     6 6 0 peak 4561 weight  0.1000E+01 volume 202.63429 ppm1 7.591 ppm2 2.504
ASSI {  4571}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 35  and name HZ  ))
     6 6 0 peak 4571 weight  0.1000E+01 volume 63.45130 ppm1 8.459 ppm2 7.006
ASSI {  4581}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 4581 weight  0.1000E+01 volume 98.31890 ppm1 8.457 ppm2 3.177
ASSI {  4591}
  (( segid "PROT" and resid 118  and name HE21  ))
  (( segid "PROT" and resid 118  and name HG2  ))
     6 6 0 peak 4591 weight  0.1000E+01 volume 78.79260 ppm1 7.593 ppm2 2.526
ASSI {  4601}
  (( segid "PROT" and resid 121  and name HN  ))
  (( segid "PROT" and resid 117  and name HB1  ))
     6 6 0 peak 4601 weight  0.1000E+01 volume 99.15140 ppm1 7.604 ppm2 2.186
ASSI {  4611}
  (( segid "PROT" and resid 37  and name HE22  ))
  (( segid "PROT" and resid 34  and name HA  ))
     6 6 0 peak 4611 weight  0.1000E+01 volume 40.09810 ppm1 6.838 ppm2 4.365
ASSI {  4621}
  (( segid "PROT" and resid 16  and name HE22  ))
  (( segid "PROT" and resid 16  and name HB1  ))
     6 6 0 peak 4621 weight  0.1000E+01 volume 235.31190 ppm1 6.828 ppm2 2.241
ASSI {  4641}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 19  and name HN  ))
     6 6 0 peak 4641 weight  0.1000E+01 volume 53.49790 ppm1 7.991 ppm2 8.684
ASSI {  4671}
  (( segid "PROT" and resid 75  and name HE1  ))
  (( segid "PROT" and resid 75  and name HA  ))
     6 6 0 peak 4671 weight  0.1000E+01 volume 15.32340 ppm1 10.289 ppm2 4.272
ASSI {  4681}
  (( segid "PROT" and resid 75  and name HE1  ))
  (( segid "PROT" and resid 75  and name HB2  ))
     6 6 0 peak 4681 weight  0.1000E+01 volume 22.67620 ppm1 10.288 ppm2 3.269
ASSI {  4701}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 70  and name HG1  ))
     6 6 0 peak 4701 weight  0.1000E+01 volume 126.08520 ppm1 7.430 ppm2 2.250
ASSI {  4711}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 4711 weight  0.1000E+01 volume 30.57480 ppm1 7.432 ppm2 1.236
ASSI {  4721}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 40  and name HA  ))
     6 6 0 peak 4721 weight  0.1000E+01 volume 21.64860 ppm1 7.277 ppm2 5.042
ASSI {  4731}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 40  and name HB2  ))
     6 6 0 peak 4731 weight  0.1000E+01 volume 40.71900 ppm1 7.277 ppm2 2.379
ASSI {  4741}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 42  and name HN  ))
     6 6 0 peak 4741 weight  0.1000E+01 volume 274.08020 ppm1 7.389 ppm2 7.866
ASSI {  4761}
  (( segid "PROT" and resid 89  and name HE1  ))
  (( segid "PROT" and resid 103  and name HN  ))
     6 6 0 peak 4761 weight  0.1000E+01 volume 199.32770 ppm1 8.854 ppm2 8.455
ASSI {  4771}
  (( segid "PROT" and resid 89  and name HE1  ))
  (( segid "PROT" and resid 103  and name HB1  ))
     6 6 0 peak 4771 weight  0.1000E+01 volume 168.29620 ppm1 8.855 ppm2 4.289
ASSI {  4781}
  (( segid "PROT" and resid 89  and name HE1  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 4781 weight  0.1000E+01 volume 37.07700 ppm1 8.851 ppm2 0.912
ASSI {  4791}
  (( segid "PROT" and resid 82  and name HE1  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 4791 weight  0.1000E+01 volume 51.44830 ppm1 10.508 ppm2 4.029
ASSI {  4801}
  (( segid "PROT" and resid 82  and name HE1  ))
  (( segid "PROT" and resid 82  and name HB1  ))
     6 6 0 peak 4801 weight  0.1000E+01 volume 40.45070 ppm1 10.508 ppm2 3.334
ASSI {  4821}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 20  and name HD2  ))
     6 6 0 peak 4821 weight  0.1000E+01 volume 22.12370 ppm1 7.478 ppm2 3.339
ASSI {  4831}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 4831 weight  0.1000E+01 volume 35.22920 ppm1 8.937 ppm2 0.292
ASSI {  4841}
  (( segid "PROT" and resid 39  and name HN  ))
  (( segid "PROT" and resid 39  and name HA  ))
     6 6 0 peak 4841 weight  0.1000E+01 volume 26.82670 ppm1 8.448 ppm2 3.117
ASSI {  4851}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 30  and name HG2  ))
     6 6 0 peak 4851 weight  0.1000E+01 volume 114.19540 ppm1 9.477 ppm2 1.049
ASSI {  4861}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 32  and name HN  ))
     6 6 0 peak 4861 weight  0.1000E+01 volume 120.12590 ppm1 9.474 ppm2 8.005
ASSI {  4871}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 44  and name HG  ))
     6 6 0 peak 4871 weight  0.1000E+01 volume 154.66130 ppm1 7.386 ppm2 1.493
ASSI {  4881}
  (( segid "PROT" and resid 39  and name HN  ))
  (( segid "PROT" and resid 39  and name HG1#  ))
     6 6 0 peak 4881 weight  0.1000E+01 volume 198.23599 ppm1 8.447 ppm2 0.406
ASSI {  4891}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 69  and name HN  ))
     6 6 0 peak 4891 weight  0.1000E+01 volume 181.57390 ppm1 7.752 ppm2 7.434
ASSI {  4901}
  (( segid "PROT" and resid 61  and name HN  ))
  (( segid "PROT" and resid 61  and name HB  ))
     6 6 0 peak 4901 weight  0.1000E+01 volume 97.66040 ppm1 7.286 ppm2 4.253
ASSI {  4921}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 32  and name HA  ))
     6 6 0 peak 4921 weight  0.1000E+01 volume 31.90580 ppm1 7.989 ppm2 4.383
ASSI {  4931}
  (( segid "PROT" and resid 6  and name HN  ))
  (( segid "PROT" and resid 5  and name HD1  ))
     6 6 0 peak 4931 weight  0.1000E+01 volume 2.25360 ppm1 8.420 ppm2 3.140
ASSI {  4941}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 18  and name HB1  ))
     6 6 0 peak 4941 weight  0.1000E+01 volume 55.80430 ppm1 8.677 ppm2 1.363
ASSI {  4961}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 4961 weight  0.1000E+01 volume 71.04620 ppm1 8.674 ppm2 0.273
ASSI {  4971}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 4971 weight  0.1000E+01 volume 410.29721 ppm1 8.620 ppm2 0.580
ASSI {  4981}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 48  and name HN  ))
     6 6 0 peak 4981 weight  0.1000E+01 volume 288.73389 ppm1 7.996 ppm2 8.432
ASSI {  4991}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 65  and name HD1  ))
     6 6 0 peak 4991 weight  0.1000E+01 volume 43.44610 ppm1 8.473 ppm2 1.543
ASSI {  5001}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 5001 weight  0.1000E+01 volume 64.15410 ppm1 8.475 ppm2 1.128
ASSI {  5011}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 65  and name HB2  ))
     6 6 0 peak 5011 weight  0.1000E+01 volume 137.37691 ppm1 8.472 ppm2 0.579
ASSI {  5021}
  (( segid "PROT" and resid 43  and name HN  ))
  (( segid "PROT" and resid 43  and name HA  ))
     6 6 0 peak 5021 weight  0.1000E+01 volume 332.40961 ppm1 7.413 ppm2 4.014
ASSI {  5031}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 5031 weight  0.1000E+01 volume 15.15560 ppm1 7.408 ppm2 -1.492
ASSI {  5041}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 87  and name HB2  ))
     6 6 0 peak 5041 weight  0.1000E+01 volume 46.56090 ppm1 7.311 ppm2 2.746
ASSI {  5051}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 89  and name HB1  ))
     6 6 0 peak 5051 weight  0.1000E+01 volume 33.91660 ppm1 7.318 ppm2 3.381
ASSI {  5061}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 87  and name HN  ))
     6 6 0 peak 5061 weight  0.1000E+01 volume 121.39080 ppm1 7.311 ppm2 8.936
ASSI {  5071}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 89  and name HN  ))
     6 6 0 peak 5071 weight  0.1000E+01 volume 86.53390 ppm1 7.308 ppm2 8.660
ASSI {  5081}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 98  and name HN  ))
     6 6 0 peak 5081 weight  0.1000E+01 volume 7.65700 ppm1 9.164 ppm2 8.031
ASSI {  5091}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 57  and name HA  ))
     6 6 0 peak 5091 weight  0.1000E+01 volume 125.21820 ppm1 7.263 ppm2 5.065
ASSI {  5101}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 5101 weight  0.1000E+01 volume 18.93690 ppm1 8.569 ppm2 3.710
ASSI {  5111}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 77  and name HA  ))
     6 6 0 peak 5111 weight  0.1000E+01 volume 47.24100 ppm1 6.291 ppm2 3.372
ASSI {  5121}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 76  and name HB1  ))
     6 6 0 peak 5121 weight  0.1000E+01 volume 23.29250 ppm1 6.290 ppm2 2.261
ASSI {  5131}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 77  and name HB2  ))
     6 6 0 peak 5131 weight  0.1000E+01 volume 210.87860 ppm1 6.291 ppm2 1.793
ASSI {  5141}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 5141 weight  0.1000E+01 volume 17.67170 ppm1 9.131 ppm2 0.834
ASSI {  5151}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 15  and name HN  ))
     6 6 0 peak 5151 weight  0.1000E+01 volume 72.35660 ppm1 7.857 ppm2 8.150
ASSI {  5161}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 87  and name HA  ))
     6 6 0 peak 5161 weight  0.1000E+01 volume 17.86340 ppm1 8.662 ppm2 4.449
ASSI {  5171}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 51  and name HB1  ))
     6 6 0 peak 5171 weight  0.1000E+01 volume 76.10050 ppm1 7.180 ppm2 2.941
ASSI {  5181}
  (( segid "PROT" and resid 113  and name HN  ))
  (( segid "PROT" and resid 112  and name HB1  ))
     6 6 0 peak 5181 weight  0.1000E+01 volume 107.76230 ppm1 8.830 ppm2 2.032
ASSI {  5191}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 25  and name HB1  ))
     6 6 0 peak 5191 weight  0.1000E+01 volume 75.80840 ppm1 7.895 ppm2 2.287
ASSI {  5201}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 5201 weight  0.1000E+01 volume 8.90520 ppm1 7.898 ppm2 0.655
ASSI {  5211}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 5211 weight  0.1000E+01 volume 229.31390 ppm1 7.268 ppm2 0.666
ASSI {  5221}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 26  and name HN  ))
     6 6 0 peak 5221 weight  0.1000E+01 volume 113.33280 ppm1 7.268 ppm2 7.897
ASSI {  5231}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 35  and name HB1  ))
     6 6 0 peak 5231 weight  0.1000E+01 volume 183.27690 ppm1 8.027 ppm2 3.828
ASSI {  5241}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 49  and name HB1  ))
     6 6 0 peak 5241 weight  0.1000E+01 volume 142.37379 ppm1 8.510 ppm2 2.729
ASSI {  5261}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 70  and name HN  ))
     6 6 0 peak 5261 weight  0.1000E+01 volume 136.40469 ppm1 7.431 ppm2 8.378
ASSI {  5271}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 40  and name HB1  ))
     6 6 0 peak 5271 weight  0.1000E+01 volume 76.12340 ppm1 7.278 ppm2 2.915
ASSI {  5281}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 41  and name HG1  ))
     6 6 0 peak 5281 weight  0.1000E+01 volume 152.21420 ppm1 7.277 ppm2 1.520
ASSI {  5291}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 44  and name HA  ))
     6 6 0 peak 5291 weight  0.1000E+01 volume 370.57770 ppm1 7.387 ppm2 4.080
ASSI {  5301}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 46  and name HG11  ))
     6 6 0 peak 5301 weight  0.1000E+01 volume 100.73710 ppm1 7.384 ppm2 1.699
ASSI {  5331}
  (( segid "PROT" and resid 89  and name HE1  ))
  (( segid "PROT" and resid 102  and name HB2  ))
     6 6 0 peak 5331 weight  0.1000E+01 volume 110.03410 ppm1 8.853 ppm2 2.724
ASSI {  5341}
  (( segid "PROT" and resid 89  and name HE1  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 5341 weight  0.1000E+01 volume 26.00880 ppm1 8.852 ppm2 1.738
ASSI {  5351}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 77  and name HH  ))
     6 6 0 peak 5351 weight  0.1000E+01 volume 86.37690 ppm1 7.476 ppm2 5.827
ASSI {  5361}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 19  and name HA  ))
     6 6 0 peak 5361 weight  0.1000E+01 volume 74.47160 ppm1 7.479 ppm2 4.439
ASSI {  5371}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 20  and name HD1  ))
     6 6 0 peak 5371 weight  0.1000E+01 volume 15.38450 ppm1 7.484 ppm2 3.632
ASSI {  5381}
  (( segid "PROT" and resid 39  and name HN  ))
  (( segid "PROT" and resid 38  and name HB1  ))
     6 6 0 peak 5381 weight  0.1000E+01 volume 65.41110 ppm1 8.450 ppm2 2.281
ASSI {  5391}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 67  and name HN  ))
     6 6 0 peak 5391 weight  0.1000E+01 volume 81.75290 ppm1 7.752 ppm2 9.137
ASSI {  5401}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 67  and name HB2  ))
     6 6 0 peak 5401 weight  0.1000E+01 volume 98.62250 ppm1 7.751 ppm2 2.616
ASSI {  5411}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 66  and name HB1  ))
     6 6 0 peak 5411 weight  0.1000E+01 volume 42.65090 ppm1 7.750 ppm2 1.899
ASSI {  5421}
  (( segid "PROT" and resid 22  and name HN  ))
  (( segid "PROT" and resid 23  and name HN  ))
     6 6 0 peak 5421 weight  0.1000E+01 volume 83.04140 ppm1 7.048 ppm2 8.774
ASSI {  5431}
  (( segid "PROT" and resid 22  and name HN  ))
  (( segid "PROT" and resid 77  and name HH  ))
     6 6 0 peak 5431 weight  0.1000E+01 volume 49.51730 ppm1 7.048 ppm2 5.832
ASSI {  5441}
  (( segid "PROT" and resid 22  and name HN  ))
  (( segid "PROT" and resid 22  and name HB2  ))
     6 6 0 peak 5441 weight  0.1000E+01 volume 153.36940 ppm1 7.045 ppm2 2.057
ASSI {  5451}
  (( segid "PROT" and resid 22  and name HN  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 5451 weight  0.1000E+01 volume 84.01220 ppm1 7.046 ppm2 1.316
ASSI {  5461}
  (( segid "PROT" and resid 22  and name HN  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 5461 weight  0.1000E+01 volume 119.58160 ppm1 7.047 ppm2 1.103
ASSI {  5471}
  (( segid "PROT" and resid 61  and name HN  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 5471 weight  0.1000E+01 volume 87.48740 ppm1 7.285 ppm2 1.151
ASSI {  5481}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 28  and name HN  ))
     6 6 0 peak 5481 weight  0.1000E+01 volume 104.67060 ppm1 9.477 ppm2 7.257
ASSI {  5491}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 31  and name HG1  ))
     6 6 0 peak 5491 weight  0.1000E+01 volume 329.31949 ppm1 9.474 ppm2 2.284
ASSI {  5501}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 5501 weight  0.1000E+01 volume 34.67380 ppm1 9.477 ppm2 0.550
ASSI {  5511}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 12  and name HN  ))
     6 6 0 peak 5511 weight  0.1000E+01 volume 4.79750 ppm1 9.230 ppm2 9.741
ASSI {  5521}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 31  and name HN  ))
     6 6 0 peak 5521 weight  0.1000E+01 volume 44.62550 ppm1 8.009 ppm2 9.470
ASSI {  5531}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 5531 weight  0.1000E+01 volume 23.54300 ppm1 8.009 ppm2 7.291
ASSI {  5541}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 30  and name HA  ))
     6 6 0 peak 5541 weight  0.1000E+01 volume 16.20610 ppm1 8.007 ppm2 5.027
ASSI {  5551}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 28  and name HA  ))
     6 6 0 peak 5551 weight  0.1000E+01 volume 86.79380 ppm1 8.009 ppm2 4.135
ASSI {  5561}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 29  and name HB1  ))
     6 6 0 peak 5561 weight  0.1000E+01 volume 54.43560 ppm1 8.011 ppm2 2.821
ASSI {  5571}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 5571 weight  0.1000E+01 volume 89.80090 ppm1 8.014 ppm2 0.994
ASSI {  5581}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 5581 weight  0.1000E+01 volume 30.40000 ppm1 8.007 ppm2 0.365
ASSI {  5591}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 18  and name HN  ))
     6 6 0 peak 5591 weight  0.1000E+01 volume 90.77820 ppm1 8.676 ppm2 7.989
ASSI {  5601}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 22  and name HN  ))
     6 6 0 peak 5601 weight  0.1000E+01 volume 4.38810 ppm1 8.676 ppm2 7.038
ASSI {  5611}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 16  and name HA  ))
     6 6 0 peak 5611 weight  0.1000E+01 volume 47.98260 ppm1 8.674 ppm2 3.935
ASSI {  5621}
  (( segid "PROT" and resid 54  and name HN  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 5621 weight  0.1000E+01 volume 4.07160 ppm1 7.655 ppm2 5.228
ASSI {  5631}
  (( segid "PROT" and resid 54  and name HN  ))
  (( segid "PROT" and resid 53  and name HB  ))
     6 6 0 peak 5631 weight  0.1000E+01 volume 109.01870 ppm1 7.661 ppm2 1.050
ASSI {  5641}
  (( segid "PROT" and resid 8  and name HN  ))
  (( segid "PROT" and resid 9  and name HN  ))
     6 6 0 peak 5641 weight  0.1000E+01 volume 55.69360 ppm1 8.027 ppm2 8.936
ASSI {  5651}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 84  and name HN  ))
     6 6 0 peak 5651 weight  0.1000E+01 volume 130.69890 ppm1 8.073 ppm2 7.327
ASSI {  5661}
  (( segid "PROT" and resid 8  and name HN  ))
  (( segid "PROT" and resid 8  and name HA  ))
     6 6 0 peak 5661 weight  0.1000E+01 volume 905.36780 ppm1 8.026 ppm2 4.240
ASSI {  5671}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 82  and name HB1  ))
     6 6 0 peak 5671 weight  0.1000E+01 volume 27.52890 ppm1 8.079 ppm2 3.315
ASSI {  5681}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 82  and name HB2  ))
     6 6 0 peak 5681 weight  0.1000E+01 volume 90.37160 ppm1 8.075 ppm2 3.109
ASSI {  5691}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 80  and name HB1  ))
     6 6 0 peak 5691 weight  0.1000E+01 volume 36.63540 ppm1 8.075 ppm2 2.775
ASSI {  5701}
  (( segid "PROT" and resid 8  and name HN  ))
  (( segid "PROT" and resid 7  and name HE1  ))
     6 6 0 peak 5701 weight  0.1000E+01 volume 41.29500 ppm1 8.024 ppm2 2.680
ASSI {  5711}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 81  and name HA  ))
     6 6 0 peak 5711 weight  0.1000E+01 volume 38.63500 ppm1 8.074 ppm2 2.494
ASSI {  5721}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 113  and name HN  ))
     6 6 0 peak 5721 weight  0.1000E+01 volume 110.23900 ppm1 6.979 ppm2 8.835
ASSI {  5731}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 117  and name HN  ))
     6 6 0 peak 5731 weight  0.1000E+01 volume 10.41970 ppm1 6.978 ppm2 8.438
ASSI {  5741}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 116  and name HN  ))
     6 6 0 peak 5741 weight  0.1000E+01 volume 34.46890 ppm1 6.977 ppm2 6.539
ASSI {  5751}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 115  and name HD1  ))
     6 6 0 peak 5751 weight  0.1000E+01 volume 50.12840 ppm1 6.977 ppm2 3.783
ASSI {  5761}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 114  and name HB2  ))
     6 6 0 peak 5761 weight  0.1000E+01 volume 225.43260 ppm1 6.976 ppm2 2.701
ASSI {  5771}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 115  and name HB2  ))
     6 6 0 peak 5771 weight  0.1000E+01 volume 35.82840 ppm1 6.976 ppm2 1.871
ASSI {  5791}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 50  and name HA  ))
     6 6 0 peak 5791 weight  0.1000E+01 volume 90.24050 ppm1 8.618 ppm2 4.860
ASSI {  5801}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 52  and name HA  ))
     6 6 0 peak 5801 weight  0.1000E+01 volume 72.23720 ppm1 8.615 ppm2 4.013
ASSI {  5811}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 53  and name HA  ))
     6 6 0 peak 5811 weight  0.1000E+01 volume 80.17610 ppm1 8.617 ppm2 3.563
ASSI {  5821}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 51  and name HB1  ))
     6 6 0 peak 5821 weight  0.1000E+01 volume 46.59780 ppm1 8.616 ppm2 2.958
ASSI {  5831}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 52  and name HG11  ))
     6 6 0 peak 5831 weight  0.1000E+01 volume 55.17960 ppm1 8.620 ppm2 1.612
ASSI {  5841}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 5841 weight  0.1000E+01 volume 15.54660 ppm1 7.799 ppm2 0.910
ASSI {  5851}
  (( segid "PROT" and resid 95  and name HN  ))
  (( segid "PROT" and resid 95  and name HB  ))
     6 6 0 peak 5851 weight  0.1000E+01 volume 68.26180 ppm1 6.880 ppm2 4.444
ASSI {  5861}
  (( segid "PROT" and resid 95  and name HN  ))
  (( segid "PROT" and resid 95  and name HA  ))
     6 6 0 peak 5861 weight  0.1000E+01 volume 101.11140 ppm1 6.878 ppm2 4.103
ASSI {  5871}
  (( segid "PROT" and resid 95  and name HN  ))
  (( segid "PROT" and resid 94  and name HA  ))
     6 6 0 peak 5871 weight  0.1000E+01 volume 17.40620 ppm1 6.878 ppm2 2.192
ASSI {  5881}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 5881 weight  0.1000E+01 volume 27.53940 ppm1 7.999 ppm2 6.816
ASSI {  5891}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 48  and name HA  ))
     6 6 0 peak 5891 weight  0.1000E+01 volume 59.94360 ppm1 7.996 ppm2 4.658
ASSI {  5901}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 47  and name HA  ))
     6 6 0 peak 5901 weight  0.1000E+01 volume 24.60770 ppm1 7.998 ppm2 4.138
ASSI {  5911}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 53  and name HB  ))
     6 6 0 peak 5911 weight  0.1000E+01 volume 113.63390 ppm1 7.998 ppm2 1.047
ASSI {  5921}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 64  and name HN  ))
     6 6 0 peak 5921 weight  0.1000E+01 volume 84.41220 ppm1 8.474 ppm2 7.805
ASSI {  5931}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 66  and name HA  ))
     6 6 0 peak 5931 weight  0.1000E+01 volume 9.61280 ppm1 8.469 ppm2 4.365
ASSI {  5941}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 62  and name HA  ))
     6 6 0 peak 5941 weight  0.1000E+01 volume 57.61320 ppm1 8.471 ppm2 3.934
ASSI {  5951}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 5951 weight  0.1000E+01 volume 51.87140 ppm1 8.472 ppm2 3.423
ASSI {  5961}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 79  and name HN  ))
     6 6 0 peak 5961 weight  0.1000E+01 volume 63.72450 ppm1 7.166 ppm2 8.431
ASSI {  5971}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 81  and name HN  ))
     6 6 0 peak 5971 weight  0.1000E+01 volume 134.55811 ppm1 7.169 ppm2 7.404
ASSI {  5981}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 76  and name HA  ))
     6 6 0 peak 5981 weight  0.1000E+01 volume 16.23900 ppm1 7.171 ppm2 3.879
ASSI {  5991}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 77  and name HA  ))
     6 6 0 peak 5991 weight  0.1000E+01 volume 67.90500 ppm1 7.164 ppm2 3.364
ASSI {  6001}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 81  and name HB  ))
     6 6 0 peak 6001 weight  0.1000E+01 volume 50.50740 ppm1 7.168 ppm2 0.885
ASSI {  6011}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 80  and name HA  ))
     6 6 0 peak 6011 weight  0.1000E+01 volume 86.65940 ppm1 7.412 ppm2 4.572
ASSI {  6021}
  (( segid "PROT" and resid 120  and name HN  ))
  (( segid "PROT" and resid 120  and name HA  ))
     6 6 0 peak 6021 weight  0.1000E+01 volume 421.99380 ppm1 7.595 ppm2 4.449
ASSI {  6031}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 85  and name HA  ))
     6 6 0 peak 6031 weight  0.1000E+01 volume 172.99570 ppm1 7.312 ppm2 4.233
ASSI {  6041}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 102  and name HN  ))
     6 6 0 peak 6041 weight  0.1000E+01 volume 118.58380 ppm1 9.169 ppm2 8.542
ASSI {  6051}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 100  and name HN  ))
     6 6 0 peak 6051 weight  0.1000E+01 volume 102.83450 ppm1 9.168 ppm2 7.766
ASSI {  6061}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 101  and name HE1  ))
     6 6 0 peak 6061 weight  0.1000E+01 volume 55.30180 ppm1 9.168 ppm2 7.276
ASSI {  6071}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 101  and name HA  ))
     6 6 0 peak 6071 weight  0.1000E+01 volume 36.14610 ppm1 9.173 ppm2 4.483
ASSI {  6081}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 100  and name HA  ))
     6 6 0 peak 6081 weight  0.1000E+01 volume 31.77120 ppm1 9.169 ppm2 4.333
ASSI {  6091}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 101  and name HB1  ))
     6 6 0 peak 6091 weight  0.1000E+01 volume 110.78820 ppm1 9.171 ppm2 3.939
ASSI {  6101}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 98  and name HA  ))
     6 6 0 peak 6101 weight  0.1000E+01 volume 28.03120 ppm1 9.170 ppm2 3.223
ASSI {  6111}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 98  and name HG2#  ))
     6 6 0 peak 6111 weight  0.1000E+01 volume 55.93850 ppm1 9.169 ppm2 0.613
ASSI {  6121}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 57  and name HG1  ))
     6 6 0 peak 6121 weight  0.1000E+01 volume 23.96420 ppm1 7.262 ppm2 3.010
ASSI {  6131}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 58  and name HB2  ))
     6 6 0 peak 6131 weight  0.1000E+01 volume 77.95140 ppm1 7.265 ppm2 2.285
ASSI {  6141}
  (( segid "PROT" and resid 72  and name HN  ))
  (( segid "PROT" and resid 72  and name HB1  ))
     6 6 0 peak 6141 weight  0.1000E+01 volume 225.85970 ppm1 8.903 ppm2 2.260
ASSI {  6151}
  (( segid "PROT" and resid 72  and name HN  ))
  (( segid "PROT" and resid 73  and name HB2  ))
     6 6 0 peak 6151 weight  0.1000E+01 volume 12.02090 ppm1 8.905 ppm2 1.447
ASSI {  6161}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 6161 weight  0.1000E+01 volume 70.52420 ppm1 7.964 ppm2 6.058
ASSI {  6171}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 103  and name HA  ))
     6 6 0 peak 6171 weight  0.1000E+01 volume 34.53170 ppm1 7.963 ppm2 4.477
ASSI {  6181}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 6181 weight  0.1000E+01 volume 47.00550 ppm1 7.962 ppm2 3.631
ASSI {  6191}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 102  and name HB1  ))
     6 6 0 peak 6191 weight  0.1000E+01 volume 24.71800 ppm1 7.961 ppm2 3.048
ASSI {  6201}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 6201 weight  0.1000E+01 volume 29.54400 ppm1 7.963 ppm2 0.548
ASSI {  6211}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 6211 weight  0.1000E+01 volume 7.87570 ppm1 7.963 ppm2 0.370
ASSI {  6221}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 67  and name HN  ))
     6 6 0 peak 6221 weight  0.1000E+01 volume 120.73750 ppm1 8.567 ppm2 9.132
ASSI {  6231}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 105  and name HN  ))
     6 6 0 peak 6231 weight  0.1000E+01 volume 8.21730 ppm1 8.541 ppm2 8.013
ASSI {  6241}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 68  and name HN  ))
     6 6 0 peak 6241 weight  0.1000E+01 volume 14.77610 ppm1 8.567 ppm2 7.784
ASSI {  6251}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 6251 weight  0.1000E+01 volume 88.45700 ppm1 8.545 ppm2 7.015
ASSI {  6261}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 71  and name HD1  ))
     6 6 0 peak 6261 weight  0.1000E+01 volume 76.30130 ppm1 8.571 ppm2 6.814
ASSI {  6271}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 66  and name HB1  ))
     6 6 0 peak 6271 weight  0.1000E+01 volume 462.51389 ppm1 8.569 ppm2 1.948
ASSI {  6281}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 62  and name HG11  ))
     6 6 0 peak 6281 weight  0.1000E+01 volume 82.09720 ppm1 8.570 ppm2 1.125
ASSI {  6291}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 65  and name HB2  ))
     6 6 0 peak 6291 weight  0.1000E+01 volume 19.73500 ppm1 8.570 ppm2 0.576
ASSI {  6301}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 107  and name HN  ))
     6 6 0 peak 6301 weight  0.1000E+01 volume 109.20610 ppm1 7.795 ppm2 7.494
ASSI {  6311}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 106  and name HA  ))
     6 6 0 peak 6311 weight  0.1000E+01 volume 16.48340 ppm1 7.791 ppm2 3.411
ASSI {  6321}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 105  and name HG  ))
     6 6 0 peak 6321 weight  0.1000E+01 volume 40.02990 ppm1 7.795 ppm2 1.616
ASSI {  6331}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 78  and name HN  ))
     6 6 0 peak 6331 weight  0.1000E+01 volume 50.03830 ppm1 6.286 ppm2 7.347
ASSI {  6341}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 76  and name HN  ))
     6 6 0 peak 6341 weight  0.1000E+01 volume 58.02270 ppm1 6.291 ppm2 6.934
ASSI {  6351}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 6351 weight  0.1000E+01 volume 55.12380 ppm1 6.291 ppm2 1.154
ASSI {  6361}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 68  and name HN  ))
     6 6 0 peak 6361 weight  0.1000E+01 volume 95.86690 ppm1 9.132 ppm2 7.761
ASSI {  6371}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 6371 weight  0.1000E+01 volume 11.72300 ppm1 9.132 ppm2 3.705
ASSI {  6381}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 64  and name HB2  ))
     6 6 0 peak 6381 weight  0.1000E+01 volume 38.10970 ppm1 9.132 ppm2 1.503
ASSI {  6391}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 10  and name HA  ))
     6 6 0 peak 6391 weight  0.1000E+01 volume 23.06090 ppm1 7.208 ppm2 4.663
ASSI {  6401}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 11  and name HD1  ))
     6 6 0 peak 6401 weight  0.1000E+01 volume 13.81040 ppm1 7.204 ppm2 3.964
ASSI {  6411}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 14  and name HG  ))
     6 6 0 peak 6411 weight  0.1000E+01 volume 92.74130 ppm1 7.203 ppm2 1.373
ASSI {  6421}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 6421 weight  0.1000E+01 volume 21.00470 ppm1 7.205 ppm2 0.285
ASSI {  6431}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 92  and name HN  ))
     6 6 0 peak 6431 weight  0.1000E+01 volume 62.16390 ppm1 8.663 ppm2 7.632
ASSI {  6441}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 6441 weight  0.1000E+01 volume 20.76670 ppm1 8.776 ppm2 6.642
ASSI {  6451}
  (( segid "PROT" and resid 59  and name HN  ))
  (( segid "PROT" and resid 59  and name HA  ))
     6 6 0 peak 6451 weight  0.1000E+01 volume 53.81980 ppm1 8.820 ppm2 3.825
ASSI {  6461}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 89  and name HB1  ))
     6 6 0 peak 6461 weight  0.1000E+01 volume 84.55340 ppm1 8.664 ppm2 3.353
ASSI {  6471}
  (( segid "PROT" and resid 59  and name HN  ))
  (( segid "PROT" and resid 58  and name HB1  ))
     6 6 0 peak 6471 weight  0.1000E+01 volume 34.85830 ppm1 8.821 ppm2 2.620
ASSI {  6481}
  (( segid "PROT" and resid 23  and name HN  ))
  (( segid "PROT" and resid 23  and name HG1  ))
     6 6 0 peak 6481 weight  0.1000E+01 volume 144.15559 ppm1 8.766 ppm2 2.300
ASSI {  6491}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 6491 weight  0.1000E+01 volume 179.20010 ppm1 8.662 ppm2 1.723
ASSI {  6501}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 85  and name HB2  ))
     6 6 0 peak 6501 weight  0.1000E+01 volume 11.00980 ppm1 8.662 ppm2 1.509
ASSI {  6511}
  (( segid "PROT" and resid 59  and name HN  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 6511 weight  0.1000E+01 volume 12.90280 ppm1 8.820 ppm2 0.182
ASSI {  6531}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 10  and name HA  ))
     6 6 0 peak 6531 weight  0.1000E+01 volume 16.25920 ppm1 7.858 ppm2 4.659
ASSI {  6541}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 9  and name HB1  ))
     6 6 0 peak 6541 weight  0.1000E+01 volume 38.59100 ppm1 7.859 ppm2 2.878
ASSI {  6551}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 86  and name HN  ))
     6 6 0 peak 6551 weight  0.1000E+01 volume 115.67070 ppm1 8.923 ppm2 9.605
ASSI {  6561}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 108  and name HN  ))
     6 6 0 peak 6561 weight  0.1000E+01 volume 72.81450 ppm1 9.079 ppm2 7.796
ASSI {  6571}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 90  and name HN  ))
     6 6 0 peak 6571 weight  0.1000E+01 volume 19.52500 ppm1 8.920 ppm2 7.633
ASSI {  6581}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 107  and name HN  ))
     6 6 0 peak 6581 weight  0.1000E+01 volume 8.14700 ppm1 9.075 ppm2 7.490
ASSI {  6591}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 109  and name HA  ))
     6 6 0 peak 6591 weight  0.1000E+01 volume 99.66490 ppm1 9.075 ppm2 4.031
ASSI {  6601}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 83  and name HA  ))
     6 6 0 peak 6601 weight  0.1000E+01 volume 34.20840 ppm1 8.923 ppm2 4.250
ASSI {  6611}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 6611 weight  0.1000E+01 volume 50.54170 ppm1 8.925 ppm2 1.731
ASSI {  6621}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 6621 weight  0.1000E+01 volume 35.49800 ppm1 8.923 ppm2 0.583
ASSI {  6631}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 62  and name HN  ))
     6 6 0 peak 6631 weight  0.1000E+01 volume 169.26740 ppm1 8.772 ppm2 7.530
ASSI {  6641}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 60  and name HA  ))
     6 6 0 peak 6641 weight  0.1000E+01 volume 45.12500 ppm1 8.773 ppm2 4.251
ASSI {  6651}
  (( segid "PROT" and resid 59  and name HN  ))
  (( segid "PROT" and resid 60  and name HB1  ))
     6 6 0 peak 6651 weight  0.1000E+01 volume 10.75230 ppm1 8.806 ppm2 4.382
ASSI {  6661}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 6661 weight  0.1000E+01 volume 26.02670 ppm1 8.778 ppm2 0.562
ASSI {  6671}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 6671 weight  0.1000E+01 volume 65.87250 ppm1 8.777 ppm2 0.193
ASSI {  6681}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 79  and name HN  ))
     6 6 0 peak 6681 weight  0.1000E+01 volume 52.22250 ppm1 7.331 ppm2 8.449
ASSI {  6691}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 77  and name HN  ))
     6 6 0 peak 6691 weight  0.1000E+01 volume 57.00630 ppm1 7.333 ppm2 6.293
ASSI {  6701}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 75  and name HA  ))
     6 6 0 peak 6701 weight  0.1000E+01 volume 62.97140 ppm1 7.328 ppm2 4.225
ASSI {  6711}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 6711 weight  0.1000E+01 volume 43.74020 ppm1 7.332 ppm2 3.085
ASSI {  6721}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 77  and name HB1  ))
     6 6 0 peak 6721 weight  0.1000E+01 volume 89.36330 ppm1 7.329 ppm2 2.672
ASSI {  6731}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 77  and name HB2  ))
     6 6 0 peak 6731 weight  0.1000E+01 volume 60.09650 ppm1 7.331 ppm2 1.790
ASSI {  6741}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 6741 weight  0.1000E+01 volume 44.94850 ppm1 7.179 ppm2 0.576
ASSI {  6751}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 91  and name HN  ))
     6 6 0 peak 6751 weight  0.1000E+01 volume 235.81931 ppm1 8.117 ppm2 8.325
ASSI {  6761}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 6761 weight  0.1000E+01 volume 22.28260 ppm1 8.006 ppm2 6.060
ASSI {  6771}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 91  and name HA  ))
     6 6 0 peak 6771 weight  0.1000E+01 volume 75.03510 ppm1 8.114 ppm2 4.006
ASSI {  6781}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 90  and name HB2  ))
     6 6 0 peak 6781 weight  0.1000E+01 volume 175.00160 ppm1 8.119 ppm2 1.859
ASSI {  6791}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 6791 weight  0.1000E+01 volume 74.11880 ppm1 8.016 ppm2 0.546
ASSI {  6801}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 6801 weight  0.1000E+01 volume 43.70210 ppm1 8.015 ppm2 0.359
ASSI {  6811}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 6811 weight  0.1000E+01 volume 163.20621 ppm1 7.483 ppm2 6.074
ASSI {  6821}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 20  and name HA  ))
     6 6 0 peak 6821 weight  0.1000E+01 volume 39.72190 ppm1 7.579 ppm2 4.444
ASSI {  6831}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 84  and name HA  ))
     6 6 0 peak 6831 weight  0.1000E+01 volume 44.77540 ppm1 7.483 ppm2 3.676
ASSI {  6841}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 107  and name HB1  ))
     6 6 0 peak 6841 weight  0.1000E+01 volume 953.10303 ppm1 7.486 ppm2 2.234
ASSI {  6851}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 84  and name HG2  ))
     6 6 0 peak 6851 weight  0.1000E+01 volume 81.28530 ppm1 7.486 ppm2 1.878
ASSI {  6861}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 85  and name HB2  ))
     6 6 0 peak 6861 weight  0.1000E+01 volume 162.66341 ppm1 7.482 ppm2 1.493
ASSI {  6871}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 6871 weight  0.1000E+01 volume 257.71201 ppm1 7.481 ppm2 1.216
ASSI {  6881}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 6881 weight  0.1000E+01 volume 257.85529 ppm1 7.488 ppm2 0.916
ASSI {  6891}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 87  and name HN  ))
     6 6 0 peak 6891 weight  0.1000E+01 volume 62.29970 ppm1 9.600 ppm2 8.938
ASSI {  6901}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 84  and name HN  ))
     6 6 0 peak 6901 weight  0.1000E+01 volume 90.14470 ppm1 9.601 ppm2 7.283
ASSI {  6911}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 6911 weight  0.1000E+01 volume 75.11700 ppm1 9.603 ppm2 6.071
ASSI {  6921}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 86  and name HA  ))
     6 6 0 peak 6921 weight  0.1000E+01 volume 71.53940 ppm1 9.602 ppm2 4.851
ASSI {  6931}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 85  and name HA  ))
     6 6 0 peak 6931 weight  0.1000E+01 volume 49.44650 ppm1 9.602 ppm2 4.235
ASSI {  6941}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 85  and name HB1  ))
     6 6 0 peak 6941 weight  0.1000E+01 volume 110.00230 ppm1 9.603 ppm2 2.510
ASSI {  6951}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 85  and name HB2  ))
     6 6 0 peak 6951 weight  0.1000E+01 volume 93.21700 ppm1 9.603 ppm2 1.493
ASSI {  6961}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 6961 weight  0.1000E+01 volume 53.51910 ppm1 9.608 ppm2 1.145
ASSI {  6971}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 17  and name HN  ))
     6 6 0 peak 6971 weight  0.1000E+01 volume 38.13450 ppm1 8.144 ppm2 7.438
ASSI {  6981}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 13  and name HN  ))
     6 6 0 peak 6981 weight  0.1000E+01 volume 40.79670 ppm1 8.145 ppm2 7.208
ASSI {  6991}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 15  and name HD1  ))
     6 6 0 peak 6991 weight  0.1000E+01 volume 51.25470 ppm1 8.144 ppm2 3.313
ASSI {  7001}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 9  and name HB1  ))
     6 6 0 peak 7001 weight  0.1000E+01 volume 17.24650 ppm1 8.143 ppm2 2.850
ASSI {  7011}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 13  and name HB1  ))
     6 6 0 peak 7011 weight  0.1000E+01 volume 40.39130 ppm1 8.146 ppm2 2.387
ASSI {  7021}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 7021 weight  0.1000E+01 volume 34.78530 ppm1 8.147 ppm2 0.272
ASSI {  7031}
  (( segid "PROT" and resid 96  and name HN  ))
  (( segid "PROT" and resid 94  and name HN  ))
     6 6 0 peak 7031 weight  0.1000E+01 volume 37.51160 ppm1 7.864 ppm2 8.821
ASSI {  7041}
  (( segid "PROT" and resid 96  and name HN  ))
  (( segid "PROT" and resid 99  and name HN  ))
     6 6 0 peak 7041 weight  0.1000E+01 volume 33.66490 ppm1 7.861 ppm2 7.291
ASSI {  7061}
  (( segid "PROT" and resid 96  and name HN  ))
  (( segid "PROT" and resid 95  and name HA  ))
     6 6 0 peak 7061 weight  0.1000E+01 volume 67.07470 ppm1 7.862 ppm2 4.092
ASSI {  7071}
  (( segid "PROT" and resid 100  and name HN  ))
  (( segid "PROT" and resid 100  and name HB1  ))
     6 6 0 peak 7071 weight  0.1000E+01 volume 272.35751 ppm1 7.753 ppm2 2.040
ASSI {  7081}
  (( segid "PROT" and resid 96  and name HN  ))
  (( segid "PROT" and resid 95  and name HG2#  ))
     6 6 0 peak 7081 weight  0.1000E+01 volume 47.67060 ppm1 7.863 ppm2 1.125
ASSI {  7091}
  (( segid "PROT" and resid 93  and name HN  ))
  (( segid "PROT" and resid 93  and name HD1  ))
     6 6 0 peak 7091 weight  0.1000E+01 volume 71.51390 ppm1 8.799 ppm2 3.174
ASSI {  7101}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 116  and name HN  ))
     6 6 0 peak 7101 weight  0.1000E+01 volume 131.56100 ppm1 8.460 ppm2 6.567
ASSI {  7111}
  (( segid "PROT" and resid 48  and name HN  ))
  (( segid "PROT" and resid 48  and name HA  ))
     6 6 0 peak 7111 weight  0.1000E+01 volume 283.73569 ppm1 8.428 ppm2 4.657
ASSI {  7121}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 114  and name HA  ))
     6 6 0 peak 7121 weight  0.1000E+01 volume 183.63130 ppm1 8.459 ppm2 4.574
ASSI {  7131}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 113  and name HA  ))
     6 6 0 peak 7131 weight  0.1000E+01 volume 291.67789 ppm1 8.458 ppm2 4.115
ASSI {  7141}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 117  and name HG2  ))
     6 6 0 peak 7141 weight  0.1000E+01 volume 357.85559 ppm1 8.456 ppm2 2.520
ASSI {  7151}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 116  and name HG1#  ))
     6 6 0 peak 7151 weight  0.1000E+01 volume 171.28799 ppm1 8.461 ppm2 1.043
ASSI {  7161}
  (( segid "PROT" and resid 48  and name HN  ))
  (( segid "PROT" and resid 46  and name HG2#  ))
     6 6 0 peak 7161 weight  0.1000E+01 volume 59.13050 ppm1 8.426 ppm2 1.004
ASSI {  7171}
  (( segid "PROT" and resid 12  and name HN  ))
  (( segid "PROT" and resid 15  and name HN  ))
     6 6 0 peak 7171 weight  0.1000E+01 volume 8.85540 ppm1 9.738 ppm2 8.118
ASSI {  7181}
  (( segid "PROT" and resid 12  and name HN  ))
  (( segid "PROT" and resid 14  and name HN  ))
     6 6 0 peak 7181 weight  0.1000E+01 volume 23.27520 ppm1 9.749 ppm2 7.857
ASSI {  7191}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 116  and name HN  ))
     6 6 0 peak 7191 weight  0.1000E+01 volume 50.59730 ppm1 8.030 ppm2 6.567
ASSI {  7201}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 114  and name HA  ))
     6 6 0 peak 7201 weight  0.1000E+01 volume 42.79930 ppm1 8.029 ppm2 4.564
ASSI {  7211}
  (( segid "PROT" and resid 64  and name HN  ))
  (( segid "PROT" and resid 63  and name HN  ))
     6 6 0 peak 7211 weight  0.1000E+01 volume 65.52360 ppm1 7.812 ppm2 8.783
ASSI {  7221}
  (( segid "PROT" and resid 64  and name HN  ))
  (( segid "PROT" and resid 65  and name HN  ))
     6 6 0 peak 7221 weight  0.1000E+01 volume 178.52660 ppm1 7.809 ppm2 8.487
ASSI {  7231}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 50  and name HN  ))
     6 6 0 peak 7231 weight  0.1000E+01 volume 123.67070 ppm1 7.638 ppm2 8.513
ASSI {  7241}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 50  and name HA  ))
     6 6 0 peak 7241 weight  0.1000E+01 volume 38.58770 ppm1 7.638 ppm2 4.867
ASSI {  7251}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 51  and name HA  ))
     6 6 0 peak 7251 weight  0.1000E+01 volume 188.98030 ppm1 7.636 ppm2 4.469
ASSI {  7261}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 52  and name HA  ))
     6 6 0 peak 7261 weight  0.1000E+01 volume 25.21670 ppm1 7.640 ppm2 4.015
ASSI {  7271}
  (( segid "PROT" and resid 64  and name HN  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 7271 weight  0.1000E+01 volume 47.04090 ppm1 7.812 ppm2 3.712
ASSI {  7281}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 50  and name HB1  ))
     6 6 0 peak 7281 weight  0.1000E+01 volume 73.50530 ppm1 7.633 ppm2 3.456
ASSI {  7291}
  (( segid "PROT" and resid 64  and name HN  ))
  (( segid "PROT" and resid 64  and name HD1  ))
     6 6 0 peak 7291 weight  0.1000E+01 volume 36.00420 ppm1 7.812 ppm2 3.215
ASSI {  7301}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 52  and name HB  ))
     6 6 0 peak 7301 weight  0.1000E+01 volume 72.75510 ppm1 7.638 ppm2 1.872
ASSI {  7311}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 52  and name HG11  ))
     6 6 0 peak 7311 weight  0.1000E+01 volume 79.65750 ppm1 7.638 ppm2 1.599
ASSI {  7321}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 7321 weight  0.1000E+01 volume 60.47090 ppm1 7.636 ppm2 0.900
ASSI {  7331}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 117  and name HN  ))
     6 6 0 peak 7331 weight  0.1000E+01 volume 140.50529 ppm1 6.563 ppm2 8.466
ASSI {  7341}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 118  and name HN  ))
     6 6 0 peak 7341 weight  0.1000E+01 volume 26.89770 ppm1 6.556 ppm2 8.021
ASSI {  7351}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 114  and name HN  ))
     6 6 0 peak 7351 weight  0.1000E+01 volume 11.19900 ppm1 6.561 ppm2 7.002
ASSI {  7361}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 115  and name HD2  ))
     6 6 0 peak 7361 weight  0.1000E+01 volume 45.84600 ppm1 6.560 ppm2 3.533
ASSI {  7371}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 118  and name HG1  ))
     6 6 0 peak 7371 weight  0.1000E+01 volume 72.02120 ppm1 6.562 ppm2 2.516
ASSI {  7391}
  (( segid "PROT" and resid 113  and name HN  ))
  (( segid "PROT" and resid 112  and name HN  ))
     6 6 0 peak 7391 weight  0.1000E+01 volume 87.48890 ppm1 8.833 ppm2 7.941
ASSI {  7401}
  (( segid "PROT" and resid 113  and name HN  ))
  (( segid "PROT" and resid 114  and name HN  ))
     6 6 0 peak 7401 weight  0.1000E+01 volume 209.97400 ppm1 8.830 ppm2 6.986
ASSI {  7411}
  (( segid "PROT" and resid 113  and name HN  ))
  (( segid "PROT" and resid 114  and name HA  ))
     6 6 0 peak 7411 weight  0.1000E+01 volume 13.84290 ppm1 8.832 ppm2 4.584
ASSI {  7421}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 70  and name HB1  ))
     6 6 0 peak 7421 weight  0.1000E+01 volume 70.05210 ppm1 8.113 ppm2 2.007
ASSI {  7431}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 7431 weight  0.1000E+01 volume 70.63490 ppm1 8.114 ppm2 0.341
ASSI {  7441}
  (( segid "PROT" and resid 36  and name HN  ))
  (( segid "PROT" and resid 35  and name HN  ))
     6 6 0 peak 7441 weight  0.1000E+01 volume 104.92250 ppm1 7.168 ppm2 8.031
ASSI {  7451}
  (( segid "PROT" and resid 36  and name HH12  ))
  (( segid "PROT" and resid 36  and name HG2  ))
     6 6 0 peak 7451 weight  0.1000E+01 volume 62.26150 ppm1 7.166 ppm2 1.340
ASSI {  7461}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 29  and name HN  ))
     6 6 0 peak 7461 weight  0.1000E+01 volume 78.55600 ppm1 7.294 ppm2 8.263
ASSI {  7471}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 28  and name HA  ))
     6 6 0 peak 7471 weight  0.1000E+01 volume 67.48870 ppm1 7.294 ppm2 4.749
ASSI {  7481}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 7481 weight  0.1000E+01 volume 89.43740 ppm1 7.291 ppm2 0.555
ASSI {  7491}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 7491 weight  0.1000E+01 volume 9.93920 ppm1 7.293 ppm2 0.360
ASSI {  7501}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 82  and name HN  ))
     6 6 0 peak 7501 weight  0.1000E+01 volume 29.37540 ppm1 8.434 ppm2 7.949
ASSI {  7511}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 75  and name HA  ))
     6 6 0 peak 7511 weight  0.1000E+01 volume 96.10890 ppm1 8.433 ppm2 4.230
ASSI {  7521}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 7521 weight  0.1000E+01 volume 20.37830 ppm1 8.437 ppm2 3.074
ASSI {  7531}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 76  and name HG1  ))
     6 6 0 peak 7531 weight  0.1000E+01 volume 30.12120 ppm1 8.432 ppm2 1.831
ASSI {  7541}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 7541 weight  0.1000E+01 volume 79.08200 ppm1 8.433 ppm2 1.306
ASSI {  7551}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 81  and name HB  ))
     6 6 0 peak 7551 weight  0.1000E+01 volume 11.57900 ppm1 8.428 ppm2 0.880
ASSI {  7561}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 7561 weight  0.1000E+01 volume 98.86560 ppm1 8.433 ppm2 1.144
ASSI {  7571}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 7571 weight  0.1000E+01 volume 146.65669 ppm1 7.893 ppm2 6.998
ASSI {  7581}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 22  and name HA  ))
     6 6 0 peak 7581 weight  0.1000E+01 volume 7.79980 ppm1 7.900 ppm2 4.271
ASSI {  7591}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 25  and name HA  ))
     6 6 0 peak 7591 weight  0.1000E+01 volume 167.81410 ppm1 7.895 ppm2 4.036
ASSI {  7601}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 26  and name HA  ))
     6 6 0 peak 7601 weight  0.1000E+01 volume 168.45889 ppm1 7.893 ppm2 3.718
ASSI {  7611}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 114  and name HN  ))
     6 6 0 peak 7611 weight  0.1000E+01 volume 27.29740 ppm1 7.931 ppm2 6.993
ASSI {  7621}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 108  and name HA  ))
     6 6 0 peak 7621 weight  0.1000E+01 volume 20.31680 ppm1 7.936 ppm2 3.650
ASSI {  7631}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 7631 weight  0.1000E+01 volume 34.26860 ppm1 7.929 ppm2 0.724
ASSI {  7641}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 109  and name HN  ))
     6 6 0 peak 7641 weight  0.1000E+01 volume 90.25450 ppm1 8.555 ppm2 9.087
ASSI {  7651}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 111  and name HN  ))
     6 6 0 peak 7651 weight  0.1000E+01 volume 209.31770 ppm1 8.557 ppm2 7.329
ASSI {  7661}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 7661 weight  0.1000E+01 volume 176.88921 ppm1 8.553 ppm2 7.022
ASSI {  7671}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 7671 weight  0.1000E+01 volume 48.04480 ppm1 8.555 ppm2 6.065
ASSI {  7681}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 7681 weight  0.1000E+01 volume 62.79980 ppm1 8.556 ppm2 0.720
ASSI {  7691}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 7691 weight  0.1000E+01 volume 94.83950 ppm1 7.787 ppm2 3.668
ASSI {  7701}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 58  and name HB2  ))
     6 6 0 peak 7701 weight  0.1000E+01 volume 49.50720 ppm1 8.240 ppm2 2.283
ASSI {  7711}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 7711 weight  0.1000E+01 volume 8.66120 ppm1 8.237 ppm2 0.189
ASSI {  7721}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 79  and name HN  ))
     6 6 0 peak 7721 weight  0.1000E+01 volume 14.48260 ppm1 7.941 ppm2 8.435
ASSI {  7731}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 79  and name HA  ))
     6 6 0 peak 7731 weight  0.1000E+01 volume 92.61250 ppm1 7.948 ppm2 4.579
ASSI {  7741}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 7741 weight  0.1000E+01 volume 62.78240 ppm1 7.950 ppm2 4.016
ASSI {  7751}
  (( segid "PROT" and resid 75  and name HN  ))
  (( segid "PROT" and resid 75  and name HB1  ))
     6 6 0 peak 7751 weight  0.1000E+01 volume 50.47910 ppm1 7.913 ppm2 3.627
ASSI {  7761}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 81  and name HA  ))
     6 6 0 peak 7761 weight  0.1000E+01 volume 15.96730 ppm1 7.941 ppm2 2.490
ASSI {  7771}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 83  and name HB2  ))
     6 6 0 peak 7771 weight  0.1000E+01 volume 71.19320 ppm1 7.943 ppm2 1.297
ASSI {  7781}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 108  and name HA  ))
     6 6 0 peak 7781 weight  0.1000E+01 volume 116.80990 ppm1 7.327 ppm2 3.658
ASSI {  7791}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 110  and name HG1  ))
     6 6 0 peak 7791 weight  0.1000E+01 volume 25.43650 ppm1 7.327 ppm2 2.847
ASSI {  7801}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 7801 weight  0.1000E+01 volume 111.62070 ppm1 7.325 ppm2 0.901
ASSI {  7811}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 7811 weight  0.1000E+01 volume 43.26970 ppm1 7.329 ppm2 0.720
ASSI {  7821}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 40  and name HA  ))
     6 6 0 peak 7821 weight  0.1000E+01 volume 65.00650 ppm1 7.755 ppm2 5.038
ASSI {  7831}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 41  and name HG1  ))
     6 6 0 peak 7831 weight  0.1000E+01 volume 169.80321 ppm1 7.758 ppm2 1.524
ASSI {  7841}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 7841 weight  0.1000E+01 volume 4.24110 ppm1 7.745 ppm2 -0.598
ASSI {  7851}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 97  and name HN  ))
     6 6 0 peak 7851 weight  0.1000E+01 volume 33.39020 ppm1 8.037 ppm2 8.822
ASSI {  7861}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 99  and name HN  ))
     6 6 0 peak 7861 weight  0.1000E+01 volume 45.08270 ppm1 8.039 ppm2 7.311
ASSI {  7871}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 96  and name HA  ))
     6 6 0 peak 7871 weight  0.1000E+01 volume 62.30400 ppm1 8.038 ppm2 4.380
ASSI {  7881}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 97  and name HB2  ))
     6 6 0 peak 7881 weight  0.1000E+01 volume 51.52390 ppm1 8.037 ppm2 1.317
ASSI {  7891}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 36  and name HN  ))
     6 6 0 peak 7891 weight  0.1000E+01 volume 94.90240 ppm1 8.026 ppm2 7.160
ASSI {  7901}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 34  and name HA  ))
     6 6 0 peak 7901 weight  0.1000E+01 volume 46.25470 ppm1 8.025 ppm2 4.370
ASSI {  7911}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 7911 weight  0.1000E+01 volume 39.07830 ppm1 8.027 ppm2 3.931
ASSI {  7921}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 36  and name HB2  ))
     6 6 0 peak 7921 weight  0.1000E+01 volume 61.50850 ppm1 8.026 ppm2 1.891
ASSI {  7931}
  (( segid "PROT" and resid 70  and name HN  ))
  (( segid "PROT" and resid 68  and name HN  ))
     6 6 0 peak 7931 weight  0.1000E+01 volume 20.07870 ppm1 8.371 ppm2 7.780
ASSI {  7941}
  (( segid "PROT" and resid 70  and name HN  ))
  (( segid "PROT" and resid 68  and name HB  ))
     6 6 0 peak 7941 weight  0.1000E+01 volume 33.75500 ppm1 8.380 ppm2 4.540
ASSI {  7951}
  (( segid "PROT" and resid 70  and name HN  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 7951 weight  0.1000E+01 volume 50.12370 ppm1 8.378 ppm2 3.425
ASSI {  7961}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 7961 weight  0.1000E+01 volume 82.33060 ppm1 7.269 ppm2 0.882
ASSI {  7971}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 91  and name HN  ))
     6 6 0 peak 7971 weight  0.1000E+01 volume 161.77190 ppm1 7.633 ppm2 8.337
ASSI {  7981}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 7981 weight  0.1000E+01 volume 68.06440 ppm1 7.628 ppm2 6.973
ASSI {  7991}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 91  and name HA  ))
     6 6 0 peak 7991 weight  0.1000E+01 volume 39.42530 ppm1 7.634 ppm2 4.000
ASSI {  8001}
  (( segid "PROT" and resid 55  and name HD22  ))
  (( segid "PROT" and resid 55  and name HD21  ))
     6 6 0 peak 8001 weight  0.1000E+01 volume 1268.14758 ppm1 7.614 ppm2 6.901
ASSI {  8011}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 116  and name HA  ))
     6 6 0 peak 8011 weight  0.1000E+01 volume 417.87671 ppm1 7.615 ppm2 3.697
ASSI {  8021}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 99  and name HB1  ))
     6 6 0 peak 8021 weight  0.1000E+01 volume 9.41450 ppm1 7.637 ppm2 3.423
ASSI {  8041}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 8041 weight  0.1000E+01 volume 14.47960 ppm1 7.612 ppm2 0.628
ASSI {  8051}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 49  and name HN  ))
     6 6 0 peak 8051 weight  0.1000E+01 volume 74.71980 ppm1 8.509 ppm2 7.996
ASSI {  8061}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 49  and name HB2  ))
     6 6 0 peak 8061 weight  0.1000E+01 volume 83.87410 ppm1 8.510 ppm2 2.310
ASSI {  8071}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 49  and name HB2  ))
     6 6 0 peak 8071 weight  0.1000E+01 volume 62.67060 ppm1 8.510 ppm2 2.058
ASSI {  8081}
  (( segid "PROT" and resid 27  and name HN  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 8081 weight  0.1000E+01 volume 16.02610 ppm1 7.833 ppm2 6.995
ASSI {  8091}
  (( segid "PROT" and resid 27  and name HN  ))
  (( segid "PROT" and resid 26  and name HA  ))
     6 6 0 peak 8091 weight  0.1000E+01 volume 147.83900 ppm1 7.831 ppm2 3.722
ASSI {  8101}
  (( segid "PROT" and resid 27  and name HN  ))
  (( segid "PROT" and resid 27  and name HD1  ))
     6 6 0 peak 8101 weight  0.1000E+01 volume 16.15680 ppm1 7.831 ppm2 3.185
ASSI {  8111}
  (( segid "PROT" and resid 70  and name HE21  ))
  (( segid "PROT" and resid 68  and name HB  ))
     6 6 0 peak 8111 weight  0.1000E+01 volume 81.50770 ppm1 7.303 ppm2 4.535
ASSI {  8121}
  (( segid "PROT" and resid 70  and name HE21  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 8121 weight  0.1000E+01 volume 29.41170 ppm1 7.307 ppm2 1.227
ASSI {  8131}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 89  and name HE1  ))
     6 6 0 peak 8131 weight  0.1000E+01 volume 68.23350 ppm1 8.456 ppm2 8.859
ASSI {  8141}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 104  and name HN  ))
     6 6 0 peak 8141 weight  0.1000E+01 volume 97.39250 ppm1 8.457 ppm2 7.790
ASSI {  8151}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 102  and name HB2  ))
     6 6 0 peak 8151 weight  0.1000E+01 volume 82.31140 ppm1 8.457 ppm2 2.725
ASSI {  8161}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 100  and name HG2  ))
     6 6 0 peak 8161 weight  0.1000E+01 volume 51.83830 ppm1 8.450 ppm2 1.604
ASSI {  8171}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 8171 weight  0.1000E+01 volume 31.02550 ppm1 8.457 ppm2 0.919
ASSI {  8181}
  (( segid "PROT" and resid 121  and name HN  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 8181 weight  0.1000E+01 volume 244.32010 ppm1 7.606 ppm2 0.652
ASSI {  8191}
  (( segid "PROT" and resid 29  and name HN  ))
  (( segid "PROT" and resid 30  and name HA  ))
     6 6 0 peak 8191 weight  0.1000E+01 volume 17.86590 ppm1 8.262 ppm2 5.033
ASSI {  8201}
  (( segid "PROT" and resid 29  and name HN  ))
  (( segid "PROT" and resid 29  and name HA  ))
     6 6 0 peak 8201 weight  0.1000E+01 volume 90.49280 ppm1 8.260 ppm2 4.739
ASSI {  8211}
  (( segid "PROT" and resid 29  and name HN  ))
  (( segid "PROT" and resid 28  and name HB1  ))
     6 6 0 peak 8211 weight  0.1000E+01 volume 116.96440 ppm1 8.260 ppm2 2.105
ASSI {  8221}
  (( segid "PROT" and resid 29  and name HN  ))
  (( segid "PROT" and resid 27  and name HG1  ))
     6 6 0 peak 8221 weight  0.1000E+01 volume 25.02860 ppm1 8.259 ppm2 1.684
ASSI {  8231}
  (( segid "PROT" and resid 55  and name HD21  ))
  (( segid "PROT" and resid 55  and name HD22  ))
     6 6 0 peak 8231 weight  0.1000E+01 volume 1452.18958 ppm1 6.901 ppm2 7.614
ASSI {  8241}
  (( segid "PROT" and resid 86  and name HD21  ))
  (( segid "PROT" and resid 86  and name HB1  ))
     6 6 0 peak 8241 weight  0.1000E+01 volume 46.02040 ppm1 7.794 ppm2 3.145
ASSI {  8251}
  (( segid "PROT" and resid 37  and name HE21  ))
  (( segid "PROT" and resid 37  and name HE22  ))
     6 6 0 peak 8251 weight  0.1000E+01 volume 887.00787 ppm1 7.424 ppm2 6.837
ASSI {  8261}
  (( segid "PROT" and resid 37  and name HE21  ))
  (( segid "PROT" and resid 34  and name HA  ))
     6 6 0 peak 8261 weight  0.1000E+01 volume 41.15810 ppm1 7.428 ppm2 4.370
ASSI {  8281}
  (( segid "PROT" and resid 86  and name HD22  ))
  (( segid "PROT" and resid 86  and name HB1  ))
     6 6 0 peak 8281 weight  0.1000E+01 volume 38.04380 ppm1 7.206 ppm2 3.132
ASSI {  8291}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 16  and name HA  ))
     6 6 0 peak 8291 weight  0.1000E+01 volume 20.13350 ppm1 7.984 ppm2 3.924
ASSI {  8301}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 18  and name HG  ))
     6 6 0 peak 8301 weight  0.1000E+01 volume 112.11020 ppm1 7.990 ppm2 1.568
ASSI {  8311}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 19  and name HB1  ))
     6 6 0 peak 8311 weight  0.1000E+01 volume 61.29310 ppm1 7.990 ppm2 2.199
ASSI {  8331}
  (( segid "PROT" and resid 75  and name HE1  ))
  (( segid "PROT" and resid 75  and name HB1  ))
     6 6 0 peak 8331 weight  0.1000E+01 volume 16.69390 ppm1 10.289 ppm2 3.632
ASSI {  8351}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 71  and name HN  ))
     6 6 0 peak 8351 weight  0.1000E+01 volume 24.64280 ppm1 7.431 ppm2 8.119
ASSI {  8361}
  (( segid "PROT" and resid 8  and name HN  ))
  (( segid "PROT" and resid 7  and name HB1  ))
     6 6 0 peak 8361 weight  0.1000E+01 volume 66.87570 ppm1 8.029 ppm2 1.604
ASSI {  8371}
  (( segid "PROT" and resid 8  and name HN  ))
  (( segid "PROT" and resid 8  and name HD1#  ))
     6 6 0 peak 8371 weight  0.1000E+01 volume 51.73130 ppm1 8.026 ppm2 0.862
ASSI {  8381}
  (( segid "PROT" and resid 62  and name HN  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 8381 weight  0.1000E+01 volume 136.63120 ppm1 7.526 ppm2 1.156
ASSI {  8391}
  (( segid "PROT" and resid 62  and name HN  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 8391 weight  0.1000E+01 volume 53.25360 ppm1 7.522 ppm2 0.349
ASSI {  8401}
  (( segid "PROT" and resid 62  and name HN  ))
  (( segid "PROT" and resid 62  and name HG12  ))
     6 6 0 peak 8401 weight  0.1000E+01 volume 61.96860 ppm1 7.529 ppm2 0.894
ASSI {  8411}
  (( segid "PROT" and resid 62  and name HN  ))
  (( segid "PROT" and resid 62  and name HB  ))
     6 6 0 peak 8411 weight  0.1000E+01 volume 224.62640 ppm1 7.522 ppm2 1.705
ASSI {  8421}
  (( segid "PROT" and resid 62  and name HN  ))
  (( segid "PROT" and resid 62  and name HG11  ))
     6 6 0 peak 8421 weight  0.1000E+01 volume 50.76120 ppm1 7.522 ppm2 1.922
ASSI {  8431}
  (( segid "PROT" and resid 62  and name HN  ))
  (( segid "PROT" and resid 62  and name HA  ))
     6 6 0 peak 8431 weight  0.1000E+01 volume 117.11880 ppm1 7.524 ppm2 3.918
ASSI {  8441}
  (( segid "PROT" and resid 62  and name HN  ))
  (( segid "PROT" and resid 61  and name HN  ))
     6 6 0 peak 8441 weight  0.1000E+01 volume 70.55510 ppm1 7.520 ppm2 7.281
ASSI {  8451}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 8451 weight  0.1000E+01 volume 155.01900 ppm1 8.618 ppm2 0.567
ASSI {  8461}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 108  and name HG2#  ))
     6 6 0 peak 8461 weight  0.1000E+01 volume 353.20279 ppm1 7.792 ppm2 0.907
ASSI {  8471}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 14  and name HG  ))
     6 6 0 peak 8471 weight  0.1000E+01 volume 209.25630 ppm1 7.860 ppm2 1.373
ASSI {  8481}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 8481 weight  0.1000E+01 volume 55.86860 ppm1 7.857 ppm2 0.274
ASSI {  8491}
  (( segid "PROT" and resid 62  and name HN  ))
  (( segid "PROT" and resid 61  and name HB  ))
     6 6 0 peak 8491 weight  0.1000E+01 volume 32.29340 ppm1 7.521 ppm2 4.249
ASSI {  8501}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 8501 weight  0.1000E+01 volume 25.42850 ppm1 8.009 ppm2 3.924
ASSI {  8511}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 8511 weight  0.1000E+01 volume 1.69240 ppm1 7.946 ppm2 -1.503
ASSI {  8521}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 8521 weight  0.1000E+01 volume 160.84540 ppm1 7.408 ppm2 3.079
ASSI {  8531}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 8531 weight  0.1000E+01 volume 40.37870 ppm1 7.412 ppm2 1.168
ASSI {  8541}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 8541 weight  0.1000E+01 volume 66.27510 ppm1 7.328 ppm2 1.293
ASSI {  8551}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 98  and name HG2#  ))
     6 6 0 peak 8551 weight  0.1000E+01 volume 360.11591 ppm1 8.037 ppm2 0.641
ASSI {  8561}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 89  and name HA  ))
     6 6 0 peak 8561 weight  0.1000E+01 volume 142.07260 ppm1 8.663 ppm2 4.765
ASSI {  8571}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 82  and name HB1  ))
     6 6 0 peak 8571 weight  0.1000E+01 volume 151.24500 ppm1 7.946 ppm2 3.314
ASSI {  8581}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 110  and name HB1  ))
     6 6 0 peak 8581 weight  0.1000E+01 volume 24.34320 ppm1 9.077 ppm2 2.375
ASSI {  8591}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 8591 weight  0.1000E+01 volume 343.60229 ppm1 7.633 ppm2 1.726
ASSI {  8601}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 105  and name HG  ))
     6 6 0 peak 8601 weight  0.1000E+01 volume 331.73569 ppm1 8.014 ppm2 1.613
ASSI {  8611}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 105  and name HB2  ))
     6 6 0 peak 8611 weight  0.1000E+01 volume 134.77750 ppm1 8.010 ppm2 1.132
ASSI {  8621}
  (( segid "PROT" and resid 120  and name HN  ))
  (( segid "PROT" and resid 120  and name HB2  ))
     6 6 0 peak 8621 weight  0.1000E+01 volume 139.89680 ppm1 7.594 ppm2 1.639
ASSI {  8631}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 118  and name HB1  ))
     6 6 0 peak 8631 weight  0.1000E+01 volume 375.25870 ppm1 8.031 ppm2 2.180
ASSI {  8641}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 118  and name HG2  ))
     6 6 0 peak 8641 weight  0.1000E+01 volume 217.62270 ppm1 7.620 ppm2 2.450
ASSI {  8651}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 8651 weight  0.1000E+01 volume 128.90250 ppm1 8.545 ppm2 3.202
ASSI {  8661}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 66  and name HB2  ))
     6 6 0 peak 8661 weight  0.1000E+01 volume 488.79709 ppm1 8.568 ppm2 1.780
ASSI {  8671}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 8671 weight  0.1000E+01 volume 75.28440 ppm1 8.565 ppm2 0.759
ASSI {  8681}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 12  and name HB1  ))
     6 6 0 peak 8681 weight  0.1000E+01 volume 162.49541 ppm1 7.204 ppm2 2.048
ASSI {  8691}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 8691 weight  0.1000E+01 volume 132.98759 ppm1 8.148 ppm2 3.802
ASSI {  8701}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 18  and name HA  ))
     6 6 0 peak 8701 weight  0.1000E+01 volume 19.15260 ppm1 8.677 ppm2 4.190
ASSI {  8711}
  (( segid "PROT" and resid 121  and name HN  ))
  (( segid "PROT" and resid 120  and name HB2  ))
     6 6 0 peak 8711 weight  0.1000E+01 volume 170.50490 ppm1 7.606 ppm2 1.643
ASSI {  8721}
  (( segid "PROT" and resid 120  and name HN  ))
  (( segid "PROT" and resid 121  and name HA1  ))
     6 6 0 peak 8721 weight  0.1000E+01 volume 31.43040 ppm1 7.594 ppm2 3.824
ASSI {  8731}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 117  and name HA  ))
     6 6 0 peak 8731 weight  0.1000E+01 volume 171.46471 ppm1 8.030 ppm2 4.294
ASSI {  8741}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 51  and name HA  ))
     6 6 0 peak 8741 weight  0.1000E+01 volume 15.94910 ppm1 7.182 ppm2 4.475
ASSI {  8751}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 76  and name HG2  ))
     6 6 0 peak 8751 weight  0.1000E+01 volume 113.70310 ppm1 6.945 ppm2 1.251
ASSI {  8761}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 76  and name HG1  ))
     6 6 0 peak 8761 weight  0.1000E+01 volume 245.02010 ppm1 6.945 ppm2 1.836
ASSI {  8771}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 76  and name HB1  ))
     6 6 0 peak 8771 weight  0.1000E+01 volume 153.35001 ppm1 6.943 ppm2 2.233
ASSI {  8781}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 77  and name HB1  ))
     6 6 0 peak 8781 weight  0.1000E+01 volume 64.31750 ppm1 6.944 ppm2 2.656
ASSI {  8791}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 8791 weight  0.1000E+01 volume 20.82450 ppm1 6.943 ppm2 3.753
ASSI {  8801}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 76  and name HA  ))
     6 6 0 peak 8801 weight  0.1000E+01 volume 70.31360 ppm1 6.946 ppm2 3.881
ASSI {  8811}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 75  and name HA  ))
     6 6 0 peak 8811 weight  0.1000E+01 volume 17.22410 ppm1 6.943 ppm2 4.218
ASSI {  8821}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 77  and name HN  ))
     6 6 0 peak 8821 weight  0.1000E+01 volume 80.53240 ppm1 6.940 ppm2 6.266
ASSI {  8831}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 8831 weight  0.1000E+01 volume 37.50280 ppm1 6.944 ppm2 7.526
ASSI {  8841}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 75  and name HB2  ))
     6 6 0 peak 8841 weight  0.1000E+01 volume 22.96540 ppm1 6.944 ppm2 3.313
ASSI {  8851}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 8851 weight  0.1000E+01 volume 49.01160 ppm1 7.182 ppm2 0.907
ASSI {  8861}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 111  and name HG1  ))
     6 6 0 peak 8861 weight  0.1000E+01 volume 43.96980 ppm1 6.975 ppm2 2.534
ASSI {  8871}
  (( segid "PROT" and resid 48  and name HN  ))
  (( segid "PROT" and resid 47  and name HA  ))
     6 6 0 peak 8871 weight  0.1000E+01 volume 189.96671 ppm1 8.429 ppm2 4.137
ASSI {  8881}
  (( segid "PROT" and resid 48  and name HN  ))
  (( segid "PROT" and resid 47  and name HB2  ))
     6 6 0 peak 8881 weight  0.1000E+01 volume 190.09689 ppm1 8.428 ppm2 1.981
ASSI {  8901}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 115  and name HB1  ))
     6 6 0 peak 8901 weight  0.1000E+01 volume 35.24650 ppm1 6.562 ppm2 2.264
ASSI {  8911}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 111  and name HB2  ))
     6 6 0 peak 8911 weight  0.1000E+01 volume 51.90800 ppm1 7.929 ppm2 2.213
ASSI {  8921}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 108  and name HA  ))
     6 6 0 peak 8921 weight  0.1000E+01 volume 36.58740 ppm1 8.552 ppm2 3.651
ASSI {  8931}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 86  and name HB2  ))
     6 6 0 peak 8931 weight  0.1000E+01 volume 134.73030 ppm1 8.925 ppm2 2.934
ASSI {  8941}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 19  and name HN  ))
     6 6 0 peak 8941 weight  0.1000E+01 volume 26.06660 ppm1 7.445 ppm2 8.691
ASSI {  8951}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 19  and name HA  ))
     6 6 0 peak 8951 weight  0.1000E+01 volume 10.56060 ppm1 7.991 ppm2 4.412
ASSI {  8961}
  (( segid "PROT" and resid 55  and name HD22  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 8961 weight  0.1000E+01 volume 324.99200 ppm1 7.612 ppm2 2.742
ASSI {  8971}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 118  and name HB2  ))
     6 6 0 peak 8971 weight  0.1000E+01 volume 825.83002 ppm1 7.609 ppm2 1.807
ASSI {  8981}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 41  and name HD1  ))
     6 6 0 peak 8981 weight  0.1000E+01 volume 45.05380 ppm1 7.282 ppm2 3.745
ASSI {  8991}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 10  and name HN  ))
     6 6 0 peak 8991 weight  0.1000E+01 volume 42.23880 ppm1 8.937 ppm2 9.221
ASSI {  9001}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 10  and name HA  ))
     6 6 0 peak 9001 weight  0.1000E+01 volume 485.13541 ppm1 9.228 ppm2 4.658
ASSI {  9011}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 48  and name HB1  ))
     6 6 0 peak 9011 weight  0.1000E+01 volume 29.71990 ppm1 7.994 ppm2 3.140
ASSI {  9021}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 14  and name HN  ))
     6 6 0 peak 9021 weight  0.1000E+01 volume 217.02390 ppm1 8.148 ppm2 7.828
ASSI {  9031}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 15  and name HG2  ))
     6 6 0 peak 9031 weight  0.1000E+01 volume 380.19061 ppm1 8.145 ppm2 1.433
ASSI {  9041}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 13  and name HA  ))
     6 6 0 peak 9041 weight  0.1000E+01 volume 55.25450 ppm1 7.787 ppm2 4.158
ASSI {  9051}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 30  and name HB1  ))
     6 6 0 peak 9051 weight  0.1000E+01 volume 182.91240 ppm1 9.476 ppm2 2.087
ASSI {  9061}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 78  and name HN  ))
     6 6 0 peak 9061 weight  0.1000E+01 volume 197.98320 ppm1 8.432 ppm2 7.335
ASSI {  9071}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 80  and name HN  ))
     6 6 0 peak 9071 weight  0.1000E+01 volume 85.27190 ppm1 7.409 ppm2 7.174
ASSI {  9081}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 82  and name HN  ))
     6 6 0 peak 9081 weight  0.1000E+01 volume 29.58090 ppm1 7.409 ppm2 7.945
ASSI {  9091}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 80  and name HN  ))
     6 6 0 peak 9091 weight  0.1000E+01 volume 39.57730 ppm1 7.943 ppm2 7.196
ASSI {  9101}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 76  and name HA  ))
     6 6 0 peak 9101 weight  0.1000E+01 volume 104.10620 ppm1 8.433 ppm2 3.862
ASSI {  9111}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 73  and name HA  ))
     6 6 0 peak 9111 weight  0.1000E+01 volume 118.96290 ppm1 7.665 ppm2 4.616
ASSI {  9121}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 72  and name HA  ))
     6 6 0 peak 9121 weight  0.1000E+01 volume 124.86400 ppm1 7.665 ppm2 4.298
ASSI {  9131}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 73  and name HG1  ))
     6 6 0 peak 9131 weight  0.1000E+01 volume 346.83881 ppm1 7.665 ppm2 2.444
ASSI {  9141}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 76  and name HG1  ))
     6 6 0 peak 9141 weight  0.1000E+01 volume 241.95171 ppm1 7.664 ppm2 1.818
ASSI {  9151}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 72  and name HB1  ))
     6 6 0 peak 9151 weight  0.1000E+01 volume 613.53693 ppm1 7.667 ppm2 2.254
ASSI {  9161}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 71  and name HB1  ))
     6 6 0 peak 9161 weight  0.1000E+01 volume 249.84711 ppm1 7.668 ppm2 2.761
ASSI {  9171}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 73  and name HB2  ))
     6 6 0 peak 9171 weight  0.1000E+01 volume 113.17920 ppm1 7.665 ppm2 1.449
ASSI {  9181}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 72  and name HN  ))
     6 6 0 peak 9181 weight  0.1000E+01 volume 282.11389 ppm1 7.667 ppm2 8.915
ASSI {  9191}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 76  and name HN  ))
     6 6 0 peak 9191 weight  0.1000E+01 volume 458.79749 ppm1 7.665 ppm2 6.917
ASSI {  9201}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 75  and name HN  ))
     6 6 0 peak 9201 weight  0.1000E+01 volume 45.56030 ppm1 6.944 ppm2 7.917
ASSI {  9211}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 78  and name HN  ))
     6 6 0 peak 9211 weight  0.1000E+01 volume 30.65100 ppm1 6.941 ppm2 7.293
ASSI {  9221}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 9221 weight  0.1000E+01 volume 110.21740 ppm1 7.329 ppm2 6.728
ASSI {  9231}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 9231 weight  0.1000E+01 volume 52.15170 ppm1 7.666 ppm2 0.368
ASSI {  9241}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 9241 weight  0.1000E+01 volume 27.45390 ppm1 6.294 ppm2 0.242
ASSI {  9251}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 76  and name HA  ))
     6 6 0 peak 9251 weight  0.1000E+01 volume 13.04070 ppm1 6.289 ppm2 3.874
ASSI {  9261}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 77  and name HA  ))
     6 6 0 peak 9261 weight  0.1000E+01 volume 28.14730 ppm1 7.330 ppm2 3.361
ASSI {  9271}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 83  and name HA  ))
     6 6 0 peak 9271 weight  0.1000E+01 volume 445.74399 ppm1 8.070 ppm2 4.245
ASSI {  9281}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 83  and name HB2  ))
     6 6 0 peak 9281 weight  0.1000E+01 volume 123.52850 ppm1 8.075 ppm2 1.653
ASSI {  9291}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 82  and name HN  ))
     6 6 0 peak 9291 weight  0.1000E+01 volume 73.58200 ppm1 8.077 ppm2 7.916
ASSI {  9301}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 88  and name HN  ))
     6 6 0 peak 9301 weight  0.1000E+01 volume 66.39130 ppm1 7.483 ppm2 7.320
ASSI {  9311}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 106  and name HN  ))
     6 6 0 peak 9311 weight  0.1000E+01 volume 89.69400 ppm1 7.486 ppm2 7.963
ASSI {  9321}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 9321 weight  0.1000E+01 volume 20.35330 ppm1 7.490 ppm2 7.013
ASSI {  9331}
  (( segid "PROT" and resid 84  and name HN  ))
  (( segid "PROT" and resid 81  and name HA  ))
     6 6 0 peak 9331 weight  0.1000E+01 volume 513.72278 ppm1 7.324 ppm2 2.485
ASSI {  9341}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 86  and name HN  ))
     6 6 0 peak 9341 weight  0.1000E+01 volume 66.46060 ppm1 7.485 ppm2 9.608
ASSI {  9351}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 9351 weight  0.1000E+01 volume 27.40480 ppm1 9.604 ppm2 4.024
ASSI {  9361}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 89  and name HD1  ))
     6 6 0 peak 9361 weight  0.1000E+01 volume 26.37100 ppm1 8.662 ppm2 4.988
ASSI {  9371}
  (( segid "PROT" and resid 5  and name HN  ))
  (( segid "PROT" and resid 5  and name HG1  ))
     6 6 0 peak 9371 weight  0.1000E+01 volume 89.60910 ppm1 8.482 ppm2 1.628
ASSI {  9381}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 17  and name HN  ))
     6 6 0 peak 9381 weight  0.1000E+01 volume 23.13470 ppm1 8.678 ppm2 7.461
ASSI {  9391}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 9391 weight  0.1000E+01 volume 8.50300 ppm1 7.987 ppm2 7.074
ASSI {  9401}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 29  and name HA  ))
     6 6 0 peak 9401 weight  0.1000E+01 volume 138.33080 ppm1 9.472 ppm2 4.735
ASSI {  9411}
  (( segid "PROT" and resid 37  and name HN  ))
  (( segid "PROT" and resid 37  and name HB2  ))
     6 6 0 peak 9411 weight  0.1000E+01 volume 572.65222 ppm1 7.593 ppm2 1.799
ASSI {  9421}
  (( segid "PROT" and resid 37  and name HN  ))
  (( segid "PROT" and resid 37  and name HB1  ))
     6 6 0 peak 9421 weight  0.1000E+01 volume 651.82257 ppm1 7.594 ppm2 2.200
ASSI {  9431}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 48  and name HB1  ))
     6 6 0 peak 9431 weight  0.1000E+01 volume 38.64280 ppm1 7.638 ppm2 3.137
ASSI {  9441}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 9441 weight  0.1000E+01 volume 74.58890 ppm1 8.508 ppm2 3.699
ASSI {  9451}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 54  and name HN  ))
     6 6 0 peak 9451 weight  0.1000E+01 volume 21.25400 ppm1 8.618 ppm2 7.646
ASSI {  9461}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 58  and name HB1  ))
     6 6 0 peak 9461 weight  0.1000E+01 volume 13.48090 ppm1 8.237 ppm2 2.605
ASSI {  9471}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 59  and name HB2  ))
     6 6 0 peak 9471 weight  0.1000E+01 volume 90.64400 ppm1 8.236 ppm2 1.339
ASSI {  9481}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 64  and name HA  ))
     6 6 0 peak 9481 weight  0.1000E+01 volume 66.10980 ppm1 9.135 ppm2 4.194
ASSI {  9501}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 69  and name HA1  ))
     6 6 0 peak 9501 weight  0.1000E+01 volume 27.61920 ppm1 7.752 ppm2 4.220
ASSI {  9511}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 101  and name HB1  ))
     6 6 0 peak 9511 weight  0.1000E+01 volume 76.54060 ppm1 8.543 ppm2 3.923
ASSI {  9521}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 9521 weight  0.1000E+01 volume 54.05470 ppm1 8.573 ppm2 3.410
ASSI {  9531}
  (( segid "PROT" and resid 70  and name HN  ))
  (( segid "PROT" and resid 69  and name HA2  ))
     6 6 0 peak 9531 weight  0.1000E+01 volume 19.44390 ppm1 8.378 ppm2 3.856
ASSI {  9541}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 9541 weight  0.1000E+01 volume 10.73970 ppm1 8.117 ppm2 3.401
ASSI {  9561}
  (( segid "PROT" and resid 93  and name HN  ))
  (( segid "PROT" and resid 93  and name HA  ))
     6 6 0 peak 9561 weight  0.1000E+01 volume 56.89090 ppm1 8.796 ppm2 4.312
ASSI {  9581}
  (( segid "PROT" and resid 36  and name HN  ))
  (( segid "PROT" and resid 59  and name HB1  ))
     6 6 0 peak 9581 weight  0.1000E+01 volume 38.25940 ppm1 7.168 ppm2 1.754
ASSI {  9591}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 101  and name HA  ))
     6 6 0 peak 9591 weight  0.1000E+01 volume 23.51480 ppm1 8.549 ppm2 4.466
ASSI {  9601}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 104  and name HN  ))
     6 6 0 peak 9601 weight  0.1000E+01 volume 86.60190 ppm1 8.013 ppm2 7.811
ASSI {  9611}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 105  and name HN  ))
     6 6 0 peak 9611 weight  0.1000E+01 volume 201.63721 ppm1 7.798 ppm2 8.015
ASSI {  9621}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 105  and name HN  ))
     6 6 0 peak 9621 weight  0.1000E+01 volume 20.04990 ppm1 7.962 ppm2 7.817
ASSI {  9631}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 89  and name HN  ))
     6 6 0 peak 9631 weight  0.1000E+01 volume 72.10210 ppm1 8.117 ppm2 8.668
ASSI {  9641}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 103  and name HA  ))
     6 6 0 peak 9641 weight  0.1000E+01 volume 86.29870 ppm1 7.798 ppm2 4.479
ASSI {  9651}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 9651 weight  0.1000E+01 volume 14.13440 ppm1 7.963 ppm2 3.185
ASSI {  9661}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 9661 weight  0.1000E+01 volume 24.44610 ppm1 8.013 ppm2 3.206
ASSI {  9671}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 104  and name HA  ))
     6 6 0 peak 9671 weight  0.1000E+01 volume 59.92160 ppm1 8.010 ppm2 4.257
ASSI {  9681}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 9681 weight  0.1000E+01 volume 64.37790 ppm1 7.482 ppm2 4.012
ASSI {  9691}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 105  and name HB2  ))
     6 6 0 peak 9691 weight  0.1000E+01 volume 87.21480 ppm1 7.962 ppm2 1.116
ASSI {  9701}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 9701 weight  0.1000E+01 volume 34.95770 ppm1 7.325 ppm2 7.012
ASSI {  9711}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 107  and name HA  ))
     6 6 0 peak 9711 weight  0.1000E+01 volume 178.40070 ppm1 8.557 ppm2 4.125
ASSI {  9721}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 113  and name HA  ))
     6 6 0 peak 9721 weight  0.1000E+01 volume 124.16750 ppm1 6.977 ppm2 4.099
ASSI {  9731}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 113  and name HA  ))
     6 6 0 peak 9731 weight  0.1000E+01 volume 59.67740 ppm1 6.561 ppm2 4.103
ASSI {  9741}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 115  and name HB2  ))
     6 6 0 peak 9741 weight  0.1000E+01 volume 71.39400 ppm1 6.561 ppm2 1.883
ASSI {  9751}
  (( segid "PROT" and resid 120  and name HN  ))
  (( segid "PROT" and resid 117  and name HA  ))
     6 6 0 peak 9751 weight  0.1000E+01 volume 53.09430 ppm1 7.595 ppm2 4.330
ASSI {  9761}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 111  and name HG1  ))
     6 6 0 peak 9761 weight  0.1000E+01 volume 169.15891 ppm1 7.329 ppm2 2.515
ASSI {  9771}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 65  and name HG2  ))
     6 6 0 peak 9771 weight  0.1000E+01 volume 43.34200 ppm1 8.471 ppm2 0.740
ASSI {  9781}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 14  and name HB1  ))
     6 6 0 peak 9781 weight  0.1000E+01 volume 210.03520 ppm1 8.145 ppm2 1.667
ASSI {  9801}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 9801 weight  0.1000E+01 volume 27.56520 ppm1 7.898 ppm2 1.428
ASSI {  9811}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 25  and name HB2  ))
     6 6 0 peak 9811 weight  0.1000E+01 volume 36.29900 ppm1 7.279 ppm2 1.295
ASSI {  9821}
  (( segid "PROT" and resid 29  and name HN  ))
  (( segid "PROT" and resid 29  and name HB2  ))
     6 6 0 peak 9821 weight  0.1000E+01 volume 129.94910 ppm1 8.261 ppm2 2.284
ASSI {  9831}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 117  and name HB1  ))
     6 6 0 peak 9831 weight  0.1000E+01 volume 336.39951 ppm1 8.460 ppm2 2.224
ASSI {  9841}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 13  and name HB1  ))
     6 6 0 peak 9841 weight  0.1000E+01 volume 55.16060 ppm1 8.937 ppm2 2.432
ASSI {  9851}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 13  and name HB2  ))
     6 6 0 peak 9851 weight  0.1000E+01 volume 142.98981 ppm1 7.203 ppm2 2.197
ASSI {  9861}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 90  and name HA  ))
     6 6 0 peak 9861 weight  0.1000E+01 volume 11.76800 ppm1 7.633 ppm2 4.458
ASSI {  9871}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 110  and name HG2  ))
     6 6 0 peak 9871 weight  0.1000E+01 volume 157.71700 ppm1 8.553 ppm2 2.525
ASSI {  9881}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 56  and name HD2  ))
     6 6 0 peak 9881 weight  0.1000E+01 volume 62.76240 ppm1 8.592 ppm2 3.461
ASSI {  9891}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 109  and name HA  ))
     6 6 0 peak 9891 weight  0.1000E+01 volume 60.22740 ppm1 7.932 ppm2 4.001
ASSI {  9901}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 9901 weight  0.1000E+01 volume 87.92740 ppm1 7.991 ppm2 0.511
ASSI {  9911}
  (( segid "PROT" and resid 61  and name HN  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 9911 weight  0.1000E+01 volume 50.92350 ppm1 6.902 ppm2 1.176
ASSI {  9921}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 9921 weight  0.1000E+01 volume 18.58800 ppm1 7.896 ppm2 0.876
ASSI {  9931}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 25  and name HB2  ))
     6 6 0 peak 9931 weight  0.1000E+01 volume 14.03560 ppm1 7.893 ppm2 1.093
ASSI {  9941}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 23  and name HB1  ))
     6 6 0 peak 9941 weight  0.1000E+01 volume 15.65520 ppm1 7.894 ppm2 2.045
ASSI {  9951}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 49  and name HD1  ))
     6 6 0 peak 9951 weight  0.1000E+01 volume 38.27890 ppm1 7.999 ppm2 5.555
ASSI {  9961}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 46  and name HD1#  ))
     6 6 0 peak 9961 weight  0.1000E+01 volume 13.57270 ppm1 7.994 ppm2 0.397
ASSI {  9971}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 46  and name HG12  ))
     6 6 0 peak 9971 weight  0.1000E+01 volume 5.74330 ppm1 7.994 ppm2 0.620
ASSI {  9981}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 72  and name HG1  ))
     6 6 0 peak 9981 weight  0.1000E+01 volume 27.42470 ppm1 8.115 ppm2 2.446
ASSI { 10001}
  (( segid "PROT" and resid 89  and name HE1  ))
  (( segid "PROT" and resid 103  and name HB2  ))
     6 6 0 peak 10001 weight  0.1000E+01 volume 21.94460 ppm1 8.854 ppm2 4.118
ASSI { 10011}
  (( segid "PROT" and resid 89  and name HE1  ))
  (( segid "PROT" and resid 99  and name HA  ))
     6 6 0 peak 10011 weight  0.1000E+01 volume 17.03010 ppm1 8.858 ppm2 3.730
ASSI { 10061}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 67  and name HN  ))
     6 6 0 peak 10061 weight  0.1000E+01 volume 8.32980 ppm1 7.426 ppm2 9.128
ASSI { 10071}
  (( segid "PROT" and resid 37  and name HE21  ))
  (( segid "PROT" and resid 37  and name HG1  ))
     6 6 0 peak 10071 weight  0.1000E+01 volume 51.85370 ppm1 7.424 ppm2 2.237
ASSI { 10081}
  (( segid "PROT" and resid 37  and name HE22  ))
  (( segid "PROT" and resid 37  and name HE21  ))
     6 6 0 peak 10081 weight  0.1000E+01 volume 495.80469 ppm1 6.838 ppm2 7.423
ASSI { 10091}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 103  and name HB2  ))
     6 6 0 peak 10091 weight  0.1000E+01 volume 48.66210 ppm1 8.458 ppm2 4.117
ASSI { 10101}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 102  and name HB1  ))
     6 6 0 peak 10101 weight  0.1000E+01 volume 23.97460 ppm1 8.456 ppm2 3.069
ASSI { 10121}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 100  and name HB1  ))
     6 6 0 peak 10121 weight  0.1000E+01 volume 18.22680 ppm1 8.459 ppm2 2.034
ASSI { 10131}
  (( segid "PROT" and resid 27  and name HN  ))
  (( segid "PROT" and resid 27  and name HG1  ))
     6 6 0 peak 10131 weight  0.1000E+01 volume 60.34440 ppm1 7.831 ppm2 1.711
ASSI { 10141}
  (( segid "PROT" and resid 27  and name HN  ))
  (( segid "PROT" and resid 25  and name HB1  ))
     6 6 0 peak 10141 weight  0.1000E+01 volume 12.51230 ppm1 7.834 ppm2 2.274
ASSI { 10161}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 49  and name HD1  ))
     6 6 0 peak 10161 weight  0.1000E+01 volume 30.09080 ppm1 8.508 ppm2 5.549
ASSI { 10171}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 51  and name HA  ))
     6 6 0 peak 10171 weight  0.1000E+01 volume 11.28240 ppm1 8.504 ppm2 4.478
ASSI { 10181}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 46  and name HD1#  ))
     6 6 0 peak 10181 weight  0.1000E+01 volume 5.80350 ppm1 8.511 ppm2 0.413
ASSI { 10191}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 10191 weight  0.1000E+01 volume 7.30250 ppm1 8.509 ppm2 0.573
ASSI { 10201}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 35  and name HB2  ))
     6 6 0 peak 10201 weight  0.1000E+01 volume 30.97750 ppm1 8.025 ppm2 2.638
ASSI { 10211}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 59  and name HB2  ))
     6 6 0 peak 10211 weight  0.1000E+01 volume 9.15430 ppm1 8.029 ppm2 1.356
ASSI { 10221}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 10221 weight  0.1000E+01 volume 11.06980 ppm1 8.027 ppm2 0.183
ASSI { 10231}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 33  and name HB2  ))
     6 6 0 peak 10231 weight  0.1000E+01 volume 9.44220 ppm1 8.030 ppm2 1.582
ASSI { 10241}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 92  and name HB2  ))
     6 6 0 peak 10241 weight  0.1000E+01 volume 81.37820 ppm1 7.634 ppm2 2.855
ASSI { 10251}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 90  and name HD1#  ))
     6 6 0 peak 10251 weight  0.1000E+01 volume 22.90990 ppm1 7.632 ppm2 1.020
ASSI { 10261}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 98  and name HG2#  ))
     6 6 0 peak 10261 weight  0.1000E+01 volume 26.42560 ppm1 7.639 ppm2 0.592
ASSI { 10271}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 74  and name HD1  ))
     6 6 0 peak 10271 weight  0.1000E+01 volume 14.82460 ppm1 7.668 ppm2 3.769
ASSI { 10281}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 76  and name HG2  ))
     6 6 0 peak 10281 weight  0.1000E+01 volume 8.65140 ppm1 7.662 ppm2 1.258
ASSI { 10291}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 10291 weight  0.1000E+01 volume 8.97120 ppm1 7.262 ppm2 0.182
ASSI { 10301}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 24  and name HN  ))
     6 6 0 peak 10301 weight  0.1000E+01 volume 44.12020 ppm1 7.270 ppm2 7.586
ASSI { 10311}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 22  and name HN  ))
     6 6 0 peak 10311 weight  0.1000E+01 volume 21.30980 ppm1 7.269 ppm2 7.011
ASSI { 10321}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 26  and name HB1  ))
     6 6 0 peak 10321 weight  0.1000E+01 volume 12.19170 ppm1 7.268 ppm2 2.900
ASSI { 10331}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 10331 weight  0.1000E+01 volume 4.80270 ppm1 8.037 ppm2 7.082
ASSI { 10341}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 97  and name HA  ))
     6 6 0 peak 10341 weight  0.1000E+01 volume 15.39380 ppm1 8.036 ppm2 3.668
ASSI { 10351}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 97  and name HD1  ))
     6 6 0 peak 10351 weight  0.1000E+01 volume 8.77370 ppm1 8.039 ppm2 3.040
ASSI { 10361}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 40  and name HB1  ))
     6 6 0 peak 10361 weight  0.1000E+01 volume 9.79270 ppm1 7.755 ppm2 2.913
ASSI { 10381}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 41  and name HG2  ))
     6 6 0 peak 10381 weight  0.1000E+01 volume 12.16470 ppm1 7.755 ppm2 1.094
ASSI { 10391}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 43  and name HD1#  ))
     6 6 0 peak 10391 weight  0.1000E+01 volume 13.32990 ppm1 7.756 ppm2 0.845
ASSI { 10401}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 44  and name HD1#  ))
     6 6 0 peak 10401 weight  0.1000E+01 volume 6.57060 ppm1 7.758 ppm2 0.439
ASSI { 10411}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 112  and name HB1  ))
     6 6 0 peak 10411 weight  0.1000E+01 volume 25.38010 ppm1 7.327 ppm2 2.014
ASSI { 10421}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 59  and name HB1  ))
     6 6 0 peak 10421 weight  0.1000E+01 volume 14.00320 ppm1 8.238 ppm2 1.717
ASSI { 10431}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 59  and name HG  ))
     6 6 0 peak 10431 weight  0.1000E+01 volume 9.16710 ppm1 8.232 ppm2 1.546
ASSI { 10441}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 60  and name HB1  ))
     6 6 0 peak 10441 weight  0.1000E+01 volume 17.40270 ppm1 8.236 ppm2 4.387
ASSI { 10451}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 15  and name HD1  ))
     6 6 0 peak 10451 weight  0.1000E+01 volume 13.41930 ppm1 7.790 ppm2 3.303
ASSI { 10461}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 10461 weight  0.1000E+01 volume 4.94750 ppm1 7.788 ppm2 0.301
ASSI { 10481}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 10481 weight  0.1000E+01 volume 7.58190 ppm1 7.936 ppm2 1.406
ASSI { 10491}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 55  and name HD21  ))
     6 6 0 peak 10491 weight  0.1000E+01 volume 12.95290 ppm1 8.594 ppm2 6.900
ASSI { 10501}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 54  and name HG1  ))
     6 6 0 peak 10501 weight  0.1000E+01 volume 32.98610 ppm1 8.590 ppm2 1.412
ASSI { 10511}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 10511 weight  0.1000E+01 volume 27.34770 ppm1 8.591 ppm2 0.912
ASSI { 10521}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 79  and name HB2  ))
     6 6 0 peak 10521 weight  0.1000E+01 volume 46.72230 ppm1 8.433 ppm2 2.729
ASSI { 10531}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 10531 weight  0.1000E+01 volume 21.58150 ppm1 7.445 ppm2 3.802
ASSI { 10541}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 32  and name HN  ))
     6 6 0 peak 10541 weight  0.1000E+01 volume 22.29400 ppm1 7.294 ppm2 7.989
ASSI { 10551}
  (( segid "PROT" and resid 113  and name HN  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 10551 weight  0.1000E+01 volume 27.64150 ppm1 8.829 ppm2 0.901
ASSI { 10561}
  (( segid "PROT" and resid 36  and name HN  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 10561 weight  0.1000E+01 volume 13.70520 ppm1 7.168 ppm2 0.187
ASSI { 10571}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 10571 weight  0.1000E+01 volume 22.32360 ppm1 7.634 ppm2 1.052
ASSI { 10581}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 52  and name HG12  ))
     6 6 0 peak 10581 weight  0.1000E+01 volume 14.21660 ppm1 7.637 ppm2 1.425
ASSI { 10591}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 114  and name HA  ))
     6 6 0 peak 10591 weight  0.1000E+01 volume 11.27140 ppm1 6.565 ppm2 4.560
ASSI { 10601}
  (( segid "PROT" and resid 93  and name HN  ))
  (( segid "PROT" and resid 93  and name HB1  ))
     6 6 0 peak 10601 weight  0.1000E+01 volume 34.12810 ppm1 8.794 ppm2 1.915
ASSI { 10611}
  (( segid "PROT" and resid 93  and name HN  ))
  (( segid "PROT" and resid 92  and name HB1  ))
     6 6 0 peak 10611 weight  0.1000E+01 volume 34.07990 ppm1 8.795 ppm2 3.020
ASSI { 10621}
  (( segid "PROT" and resid 93  and name HN  ))
  (( segid "PROT" and resid 92  and name HB2  ))
     6 6 0 peak 10621 weight  0.1000E+01 volume 16.10850 ppm1 8.801 ppm2 2.852
ASSI { 10631}
  (( segid "PROT" and resid 48  and name HN  ))
  (( segid "PROT" and resid 47  and name HA  ))
     6 6 0 peak 10631 weight  0.1000E+01 volume 36.83360 ppm1 8.425 ppm2 4.962
ASSI { 10641}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 113  and name HG11  ))
     6 6 0 peak 10641 weight  0.1000E+01 volume 12.09320 ppm1 8.454 ppm2 1.226
ASSI { 10651}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 10651 weight  0.1000E+01 volume 12.33430 ppm1 8.459 ppm2 1.551
ASSI { 10661}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 73  and name HB2  ))
     6 6 0 peak 10661 weight  0.1000E+01 volume 11.09080 ppm1 6.946 ppm2 1.478
ASSI { 10671}
  (( segid "PROT" and resid 100  and name HN  ))
  (( segid "PROT" and resid 99  and name HB2  ))
     6 6 0 peak 10671 weight  0.1000E+01 volume 3.83780 ppm1 7.758 ppm2 2.573
ASSI { 10681}
  (( segid "PROT" and resid 100  and name HN  ))
  (( segid "PROT" and resid 99  and name HA  ))
     6 6 0 peak 10681 weight  0.1000E+01 volume 30.71120 ppm1 7.759 ppm2 3.686
ASSI { 10691}
  (( segid "PROT" and resid 100  and name HN  ))
  (( segid "PROT" and resid 99  and name HB1  ))
     6 6 0 peak 10691 weight  0.1000E+01 volume 17.29560 ppm1 7.762 ppm2 3.403
ASSI { 10701}
  (( segid "PROT" and resid 100  and name HN  ))
  (( segid "PROT" and resid 100  and name HA  ))
     6 6 0 peak 10701 weight  0.1000E+01 volume 38.83260 ppm1 7.759 ppm2 4.333
ASSI { 10711}
  (( segid "PROT" and resid 100  and name HN  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 10711 weight  0.1000E+01 volume 37.73470 ppm1 7.754 ppm2 7.101
ASSI { 10721}
  (( segid "PROT" and resid 100  and name HN  ))
  (( segid "PROT" and resid 99  and name HN  ))
     6 6 0 peak 10721 weight  0.1000E+01 volume 34.48110 ppm1 7.753 ppm2 7.313
ASSI { 10731}
  (( segid "PROT" and resid 96  and name HN  ))
  (( segid "PROT" and resid 95  and name HN  ))
     6 6 0 peak 10731 weight  0.1000E+01 volume 37.56810 ppm1 7.863 ppm2 6.878
ASSI { 10751}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 89  and name HB1  ))
     6 6 0 peak 10751 weight  0.1000E+01 volume 9.78750 ppm1 9.605 ppm2 3.333
ASSI { 10761}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 90  and name HA  ))
     6 6 0 peak 10761 weight  0.1000E+01 volume 24.67840 ppm1 8.116 ppm2 4.436
ASSI { 10771}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 104  and name HB1  ))
     6 6 0 peak 10771 weight  0.1000E+01 volume 25.12380 ppm1 8.014 ppm2 2.035
ASSI { 10781}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 105  and name HB1  ))
     6 6 0 peak 10781 weight  0.1000E+01 volume 44.12250 ppm1 8.013 ppm2 1.476
ASSI { 10791}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 10791 weight  0.1000E+01 volume 28.84900 ppm1 8.011 ppm2 0.924
ASSI { 10801}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 21  and name HA  ))
     6 6 0 peak 10801 weight  0.1000E+01 volume 37.39540 ppm1 7.581 ppm2 4.137
ASSI { 10811}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 10811 weight  0.1000E+01 volume 26.05230 ppm1 7.580 ppm2 0.874
ASSI { 10821}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 25  and name HB2  ))
     6 6 0 peak 10821 weight  0.1000E+01 volume 8.46440 ppm1 7.576 ppm2 1.100
ASSI { 10841}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 10841 weight  0.1000E+01 volume 34.46810 ppm1 8.774 ppm2 3.717
ASSI { 10851}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 63  and name HE1  ))
     6 6 0 peak 10851 weight  0.1000E+01 volume 6.45370 ppm1 8.773 ppm2 2.837
ASSI { 10861}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 10861 weight  0.1000E+01 volume 22.77520 ppm1 9.078 ppm2 6.061
ASSI { 10871}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 110  and name HN  ))
     6 6 0 peak 10871 weight  0.1000E+01 volume 24.35560 ppm1 9.073 ppm2 8.545
ASSI { 10881}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 10881 weight  0.1000E+01 volume 6.64280 ppm1 7.329 ppm2 0.249
ASSI { 10891}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 52  and name HG11  ))
     6 6 0 peak 10891 weight  0.1000E+01 volume 22.53700 ppm1 7.181 ppm2 1.606
ASSI { 10901}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 12  and name HN  ))
     6 6 0 peak 10901 weight  0.1000E+01 volume 6.49170 ppm1 7.857 ppm2 9.763
ASSI { 10911}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 12  and name HB1  ))
     6 6 0 peak 10911 weight  0.1000E+01 volume 41.07820 ppm1 7.855 ppm2 2.061
ASSI { 10921}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 15  and name HB1  ))
     6 6 0 peak 10921 weight  0.1000E+01 volume 41.82900 ppm1 7.857 ppm2 1.859
ASSI { 10931}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 10  and name HN  ))
     6 6 0 peak 10931 weight  0.1000E+01 volume 14.76330 ppm1 7.213 ppm2 9.227
ASSI { 10941}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 10941 weight  0.1000E+01 volume 19.83150 ppm1 7.203 ppm2 3.813
ASSI { 10951}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 104  and name HN  ))
     6 6 0 peak 10951 weight  0.1000E+01 volume 7.16120 ppm1 8.544 ppm2 7.785
ASSI { 10961}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 10961 weight  0.1000E+01 volume 27.16760 ppm1 8.548 ppm2 7.309
ASSI { 10971}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 101  and name HB2  ))
     6 6 0 peak 10971 weight  0.1000E+01 volume 9.43790 ppm1 8.545 ppm2 3.636
ASSI { 10991}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 10991 weight  0.1000E+01 volume 11.74380 ppm1 7.262 ppm2 0.355
ASSI { 11001}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 62  and name HG12  ))
     6 6 0 peak 11001 weight  0.1000E+01 volume 9.60120 ppm1 7.260 ppm2 0.908
ASSI { 11011}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 57  and name HB1  ))
     6 6 0 peak 11011 weight  0.1000E+01 volume 28.90210 ppm1 7.269 ppm2 2.176
ASSI { 11021}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 57  and name HN  ))
     6 6 0 peak 11021 weight  0.1000E+01 volume 6.88510 ppm1 7.266 ppm2 8.420
ASSI { 11031}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 100  and name HG1  ))
     6 6 0 peak 11031 weight  0.1000E+01 volume 16.01520 ppm1 9.171 ppm2 1.719
ASSI { 11041}
  (( segid "PROT" and resid 99  and name HN  ))
  (( segid "PROT" and resid 96  and name HA  ))
     6 6 0 peak 11041 weight  0.1000E+01 volume 36.09090 ppm1 7.314 ppm2 4.352
ASSI { 11051}
  (( segid "PROT" and resid 99  and name HN  ))
  (( segid "PROT" and resid 98  and name HG2#  ))
     6 6 0 peak 11051 weight  0.1000E+01 volume 51.34740 ppm1 7.315 ppm2 0.605
ASSI { 11061}
  (( segid "PROT" and resid 120  and name HN  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 11061 weight  0.1000E+01 volume 147.90390 ppm1 7.596 ppm2 0.657
ASSI { 11071}
  (( segid "PROT" and resid 43  and name HN  ))
  (( segid "PROT" and resid 42  and name HG1  ))
     6 6 0 peak 11071 weight  0.1000E+01 volume 44.86150 ppm1 7.415 ppm2 2.361
ASSI { 11081}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 11081 weight  0.1000E+01 volume 38.06070 ppm1 7.409 ppm2 1.277
ASSI { 11091}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 11091 weight  0.1000E+01 volume 3.84340 ppm1 7.171 ppm2 -1.481
ASSI { 11101}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 11101 weight  0.1000E+01 volume 9.23770 ppm1 7.169 ppm2 -0.263
ASSI { 11111}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 11111 weight  0.1000E+01 volume 9.19680 ppm1 7.166 ppm2 0.324
ASSI { 11121}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 11121 weight  0.1000E+01 volume 7.74070 ppm1 7.171 ppm2 3.051
ASSI { 11131}
  (( segid "PROT" and resid 36  and name HE  ))
  (( segid "PROT" and resid 36  and name HG2  ))
     6 6 0 peak 11131 weight  0.1000E+01 volume 9.25060 ppm1 6.438 ppm2 1.348
ASSI { 11141}
  (( segid "PROT" and resid 36  and name HE  ))
  (( segid "PROT" and resid 36  and name HG1  ))
     6 6 0 peak 11141 weight  0.1000E+01 volume 40.52640 ppm1 6.442 ppm2 2.181
ASSI { 11161}
  (( segid "PROT" and resid 36  and name HE  ))
  (( segid "PROT" and resid 36  and name HA  ))
     6 6 0 peak 11161 weight  0.1000E+01 volume 14.50920 ppm1 6.440 ppm2 3.928
ASSI { 11171}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 65  and name HD2  ))
     6 6 0 peak 11171 weight  0.1000E+01 volume 17.01870 ppm1 8.475 ppm2 1.353
ASSI { 11181}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 64  and name HA  ))
     6 6 0 peak 11181 weight  0.1000E+01 volume 12.71030 ppm1 8.474 ppm2 4.204
ASSI { 11191}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 52  and name HG12  ))
     6 6 0 peak 11191 weight  0.1000E+01 volume 10.77400 ppm1 8.618 ppm2 1.425
ASSI { 11201}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 104  and name HD2  ))
     6 6 0 peak 11201 weight  0.1000E+01 volume 18.35200 ppm1 7.796 ppm2 1.614
ASSI { 11211}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 104  and name HG2  ))
     6 6 0 peak 11211 weight  0.1000E+01 volume 14.88690 ppm1 7.799 ppm2 1.239
ASSI { 11221}
  (( segid "PROT" and resid 94  and name HN  ))
  (( segid "PROT" and resid 94  and name HG1  ))
     6 6 0 peak 11221 weight  0.1000E+01 volume 6.99110 ppm1 8.820 ppm2 1.143
ASSI { 11231}
  (( segid "PROT" and resid 94  and name HN  ))
  (( segid "PROT" and resid 93  and name HA  ))
     6 6 0 peak 11231 weight  0.1000E+01 volume 21.21750 ppm1 8.817 ppm2 4.309
ASSI { 11241}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 11241 weight  0.1000E+01 volume 13.56770 ppm1 6.976 ppm2 0.885
ASSI { 11251}
  (( segid "PROT" and resid 8  and name HN  ))
  (( segid "PROT" and resid 7  and name HD1  ))
     6 6 0 peak 11251 weight  0.1000E+01 volume 60.44330 ppm1 8.028 ppm2 1.452
ASSI { 11261}
  (( segid "PROT" and resid 8  and name HN  ))
  (( segid "PROT" and resid 7  and name HN  ))
     6 6 0 peak 11261 weight  0.1000E+01 volume 46.05000 ppm1 8.028 ppm2 8.296
ASSI { 11321}
  (( segid "PROT" and resid 54  and name HN  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 11321 weight  0.1000E+01 volume 10.06490 ppm1 7.665 ppm2 2.739
ASSI { 11331}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 18  and name HG  ))
     6 6 0 peak 11331 weight  0.1000E+01 volume 27.04590 ppm1 8.679 ppm2 1.556
ASSI { 11341}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 11341 weight  0.1000E+01 volume 9.87490 ppm1 8.676 ppm2 0.511
ASSI { 11351}
  (( segid "PROT" and resid 62  and name HN  ))
  (( segid "PROT" and resid 63  and name HN  ))
     6 6 0 peak 11351 weight  0.1000E+01 volume 10.52130 ppm1 7.523 ppm2 8.786
ASSI { 11371}
  (( segid "PROT" and resid 15  and name HE  ))
  (( segid "PROT" and resid 15  and name HB1  ))
     6 6 0 peak 11371 weight  0.1000E+01 volume 36.27620 ppm1 7.798 ppm2 1.881
ASSI { 11381}
  (( segid "PROT" and resid 15  and name HE  ))
  (( segid "PROT" and resid 15  and name HG1  ))
     6 6 0 peak 11381 weight  0.1000E+01 volume 36.59310 ppm1 7.798 ppm2 1.514
ASSI { 11401}
  (( segid "PROT" and resid 27  and name HE  ))
  (( segid "PROT" and resid 27  and name HG1  ))
     6 6 0 peak 11401 weight  0.1000E+01 volume 12.91440 ppm1 7.320 ppm2 1.697
ASSI { 11411}
  (( segid "PROT" and resid 27  and name HE  ))
  (( segid "PROT" and resid 27  and name HB1  ))
     6 6 0 peak 11411 weight  0.1000E+01 volume 6.96910 ppm1 7.323 ppm2 1.871
ASSI { 11421}
  (( segid "PROT" and resid 27  and name HE  ))
  (( segid "PROT" and resid 27  and name HD1  ))
     6 6 0 peak 11421 weight  0.1000E+01 volume 53.91690 ppm1 7.320 ppm2 3.158
ASSI { 11431}
  (( segid "PROT" and resid 97  and name HN  ))
  (( segid "PROT" and resid 97  and name HB2  ))
     6 6 0 peak 11431 weight  0.1000E+01 volume 9.33960 ppm1 8.824 ppm2 1.312
ASSI { 11441}
  (( segid "PROT" and resid 97  and name HN  ))
  (( segid "PROT" and resid 97  and name HB1  ))
     6 6 0 peak 11441 weight  0.1000E+01 volume 13.62920 ppm1 8.817 ppm2 1.577
ASSI { 11451}
  (( segid "PROT" and resid 97  and name HN  ))
  (( segid "PROT" and resid 97  and name HA  ))
     6 6 0 peak 11451 weight  0.1000E+01 volume 11.06590 ppm1 8.822 ppm2 3.664
ASSI { 11461}
  (( segid "PROT" and resid 97  and name HN  ))
  (( segid "PROT" and resid 96  and name HB2  ))
     6 6 0 peak 11461 weight  0.1000E+01 volume 5.38300 ppm1 8.827 ppm2 3.971
ASSI { 11471}
  (( segid "PROT" and resid 97  and name HN  ))
  (( segid "PROT" and resid 96  and name HA  ))
     6 6 0 peak 11471 weight  0.1000E+01 volume 44.03560 ppm1 8.821 ppm2 4.401
ASSI { 11481}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 14  and name HG  ))
     6 6 0 peak 11481 weight  0.1000E+01 volume 11.78620 ppm1 9.227 ppm2 1.422
ASSI { 11491}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 8  and name HG2#  ))
     6 6 0 peak 11491 weight  0.1000E+01 volume 6.14270 ppm1 9.228 ppm2 0.856
ASSI { 11501}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 13  and name HA  ))
     6 6 0 peak 11501 weight  0.1000E+01 volume 8.92180 ppm1 9.224 ppm2 4.154
ASSI { 11511}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 13  and name HN  ))
     6 6 0 peak 11511 weight  0.1000E+01 volume 20.41420 ppm1 9.227 ppm2 7.212
ASSI { 11521}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 11521 weight  0.1000E+01 volume 26.98140 ppm1 9.478 ppm2 7.080
ASSI { 11531}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 11531 weight  0.1000E+01 volume 47.90330 ppm1 9.474 ppm2 2.590
ASSI { 11541}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 29  and name HA  ))
     6 6 0 peak 11541 weight  0.1000E+01 volume 23.19530 ppm1 7.987 ppm2 4.751
ASSI { 11551}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 30  and name HA  ))
     6 6 0 peak 11551 weight  0.1000E+01 volume 4.46080 ppm1 7.992 ppm2 5.049
ASSI { 11561}
  (( segid "PROT" and resid 61  and name HN  ))
  (( segid "PROT" and resid 60  and name HN  ))
     6 6 0 peak 11561 weight  0.1000E+01 volume 15.93990 ppm1 7.285 ppm2 8.235
ASSI { 11571}
  (( segid "PROT" and resid 61  and name HN  ))
  (( segid "PROT" and resid 63  and name HN  ))
     6 6 0 peak 11571 weight  0.1000E+01 volume 8.02550 ppm1 7.286 ppm2 8.789
ASSI { 11581}
  (( segid "PROT" and resid 22  and name HN  ))
  (( segid "PROT" and resid 22  and name HG  ))
     6 6 0 peak 11581 weight  0.1000E+01 volume 7.64550 ppm1 7.043 ppm2 1.896
ASSI { 11591}
  (( segid "PROT" and resid 22  and name HN  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 11591 weight  0.1000E+01 volume 7.09520 ppm1 7.043 ppm2 6.619
ASSI { 11601}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 67  and name HA  ))
     6 6 0 peak 11601 weight  0.1000E+01 volume 44.56120 ppm1 7.748 ppm2 4.358
ASSI { 11611}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 69  and name HA2  ))
     6 6 0 peak 11611 weight  0.1000E+01 volume 9.93460 ppm1 7.750 ppm2 3.932
ASSI { 11621}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 11621 weight  0.1000E+01 volume 5.46730 ppm1 7.753 ppm2 3.407
ASSI { 11631}
  (( segid "PROT" and resid 39  and name HN  ))
  (( segid "PROT" and resid 40  and name HN  ))
     6 6 0 peak 11631 weight  0.1000E+01 volume 8.33390 ppm1 8.450 ppm2 7.301
ASSI { 11641}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 13  and name HB2  ))
     6 6 0 peak 11641 weight  0.1000E+01 volume 8.04300 ppm1 8.942 ppm2 2.251
ASSI { 11651}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 7  and name HB1  ))
     6 6 0 peak 11651 weight  0.1000E+01 volume 14.15930 ppm1 8.935 ppm2 1.597
ASSI { 11661}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 23  and name HN  ))
     6 6 0 peak 11661 weight  0.1000E+01 volume 19.71770 ppm1 7.480 ppm2 8.752
ASSI { 11671}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 22  and name HB1  ))
     6 6 0 peak 11671 weight  0.1000E+01 volume 16.03190 ppm1 7.477 ppm2 2.204
ASSI { 11681}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 20  and name HB1  ))
     6 6 0 peak 11681 weight  0.1000E+01 volume 7.09060 ppm1 7.471 ppm2 2.419
ASSI { 11691}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 38  and name HA  ))
     6 6 0 peak 11691 weight  0.1000E+01 volume 12.62400 ppm1 7.281 ppm2 4.095
ASSI { 11701}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 39  and name HB  ))
     6 6 0 peak 11701 weight  0.1000E+01 volume 8.62870 ppm1 7.276 ppm2 1.206
ASSI { 11711}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 39  and name HG1#  ))
     6 6 0 peak 11711 weight  0.1000E+01 volume 13.97320 ppm1 7.280 ppm2 0.395
ASSI { 11721}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 46  and name HB  ))
     6 6 0 peak 11721 weight  0.1000E+01 volume 10.02270 ppm1 7.382 ppm2 2.356
ASSI { 11731}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 42  and name HB1  ))
     6 6 0 peak 11731 weight  0.1000E+01 volume 7.83620 ppm1 7.386 ppm2 2.098
ASSI { 11741}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 44  and name HB1  ))
     6 6 0 peak 11741 weight  0.1000E+01 volume 18.14230 ppm1 7.385 ppm2 1.311
ASSI { 11751}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 43  and name HD2#  ))
     6 6 0 peak 11751 weight  0.1000E+01 volume 8.37360 ppm1 7.385 ppm2 0.834
ASSI { 11761}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 46  and name HG12  ))
     6 6 0 peak 11761 weight  0.1000E+01 volume 15.19820 ppm1 7.383 ppm2 0.647
ASSI { 11771}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 44  and name HD2#  ))
     6 6 0 peak 11771 weight  0.1000E+01 volume 33.12510 ppm1 7.387 ppm2 0.478
ASSI { 11801}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 45  and name HN  ))
     6 6 0 peak 11801 weight  0.1000E+01 volume 45.12340 ppm1 7.862 ppm2 7.392
ASSI { 11811}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 44  and name HN  ))
     6 6 0 peak 11811 weight  0.1000E+01 volume 7.66520 ppm1 7.860 ppm2 7.535
ASSI { 11821}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 46  and name HA  ))
     6 6 0 peak 11821 weight  0.1000E+01 volume 32.34520 ppm1 7.862 ppm2 4.958
ASSI { 11831}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 47  and name HA  ))
     6 6 0 peak 11831 weight  0.1000E+01 volume 27.87610 ppm1 7.863 ppm2 4.092
ASSI { 11841}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 45  and name HA1  ))
     6 6 0 peak 11841 weight  0.1000E+01 volume 52.56680 ppm1 7.863 ppm2 3.907
ASSI { 11851}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 41  and name HA  ))
     6 6 0 peak 11851 weight  0.1000E+01 volume 28.49060 ppm1 7.863 ppm2 3.641
ASSI { 11861}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 47  and name HD2  ))
     6 6 0 peak 11861 weight  0.1000E+01 volume 13.17580 ppm1 7.860 ppm2 3.336
ASSI { 11871}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 46  and name HB  ))
     6 6 0 peak 11871 weight  0.1000E+01 volume 16.69900 ppm1 7.863 ppm2 2.361
ASSI { 11881}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 46  and name HG11  ))
     6 6 0 peak 11881 weight  0.1000E+01 volume 44.48280 ppm1 7.860 ppm2 1.708
ASSI { 11891}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 44  and name HG  ))
     6 6 0 peak 11891 weight  0.1000E+01 volume 21.77360 ppm1 7.859 ppm2 1.502
ASSI { 11901}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 44  and name HB1  ))
     6 6 0 peak 11901 weight  0.1000E+01 volume 38.15820 ppm1 7.859 ppm2 1.304
ASSI { 11911}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 46  and name HG2#  ))
     6 6 0 peak 11911 weight  0.1000E+01 volume 26.87980 ppm1 7.864 ppm2 0.990
ASSI { 11921}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 46  and name HG12  ))
     6 6 0 peak 11921 weight  0.1000E+01 volume 38.99100 ppm1 7.862 ppm2 0.642
ASSI { 11931}
  (( segid "PROT" and resid 46  and name HN  ))
  (( segid "PROT" and resid 46  and name HD1#  ))
     6 6 0 peak 11931 weight  0.1000E+01 volume 43.28800 ppm1 7.863 ppm2 0.401
ASSI { 11941}
  (( segid "PROT" and resid 29  and name HN  ))
  (( segid "PROT" and resid 28  and name HN  ))
     6 6 0 peak 11941 weight  0.1000E+01 volume 16.53100 ppm1 8.259 ppm2 7.297
ASSI { 11951}
  (( segid "PROT" and resid 55  and name HD21  ))
  (( segid "PROT" and resid 54  and name HB2  ))
     6 6 0 peak 11951 weight  0.1000E+01 volume 4.14670 ppm1 6.900 ppm2 1.669
ASSI { 11961}
  (( segid "PROT" and resid 55  and name HD21  ))
  (( segid "PROT" and resid 54  and name HB1  ))
     6 6 0 peak 11961 weight  0.1000E+01 volume 8.87410 ppm1 6.897 ppm2 1.819
ASSI { 11971}
  (( segid "PROT" and resid 55  and name HD21  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 11971 weight  0.1000E+01 volume 59.54060 ppm1 6.900 ppm2 2.746
ASSI { 11981}
  (( segid "PROT" and resid 44  and name HN  ))
  (( segid "PROT" and resid 44  and name HD2#  ))
     6 6 0 peak 11981 weight  0.1000E+01 volume 72.30930 ppm1 7.546 ppm2 0.483
ASSI { 11991}
  (( segid "PROT" and resid 44  and name HN  ))
  (( segid "PROT" and resid 43  and name HD2#  ))
     6 6 0 peak 11991 weight  0.1000E+01 volume 23.20160 ppm1 7.542 ppm2 0.831
ASSI { 12001}
  (( segid "PROT" and resid 44  and name HN  ))
  (( segid "PROT" and resid 44  and name HB1  ))
     6 6 0 peak 12001 weight  0.1000E+01 volume 41.06610 ppm1 7.545 ppm2 1.311
ASSI { 12011}
  (( segid "PROT" and resid 44  and name HN  ))
  (( segid "PROT" and resid 44  and name HG  ))
     6 6 0 peak 12011 weight  0.1000E+01 volume 91.49620 ppm1 7.545 ppm2 1.506
ASSI { 12021}
  (( segid "PROT" and resid 44  and name HN  ))
  (( segid "PROT" and resid 44  and name HA  ))
     6 6 0 peak 12021 weight  0.1000E+01 volume 49.01320 ppm1 7.547 ppm2 4.106
ASSI { 12031}
  (( segid "PROT" and resid 28  and name HE22  ))
  (( segid "PROT" and resid 28  and name HB2  ))
     6 6 0 peak 12031 weight  0.1000E+01 volume 16.77490 ppm1 6.997 ppm2 2.041
ASSI { 12051}
  (( segid "PROT" and resid 28  and name HE22  ))
  (( segid "PROT" and resid 28  and name HG1  ))
     6 6 0 peak 12051 weight  0.1000E+01 volume 15.34810 ppm1 6.993 ppm2 2.814
ASSI { 12061}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 98  and name HG2#  ))
     6 6 0 peak 12061 weight  0.1000E+01 volume 13.77060 ppm1 8.320 ppm2 0.571
ASSI { 12071}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 90  and name HD1#  ))
     6 6 0 peak 12071 weight  0.1000E+01 volume 66.28370 ppm1 8.325 ppm2 1.018
ASSI { 12081}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 90  and name HG  ))
     6 6 0 peak 12081 weight  0.1000E+01 volume 11.04250 ppm1 8.325 ppm2 1.431
ASSI { 12091}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 90  and name HB2  ))
     6 6 0 peak 12091 weight  0.1000E+01 volume 31.98260 ppm1 8.324 ppm2 1.858
ASSI { 12101}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 90  and name HB1  ))
     6 6 0 peak 12101 weight  0.1000E+01 volume 21.56650 ppm1 8.321 ppm2 2.155
ASSI { 12111}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 91  and name HB2  ))
     6 6 0 peak 12111 weight  0.1000E+01 volume 16.96760 ppm1 8.324 ppm2 2.989
ASSI { 12121}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 91  and name HB1  ))
     6 6 0 peak 12121 weight  0.1000E+01 volume 17.70850 ppm1 8.321 ppm2 3.077
ASSI { 12131}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 91  and name HA  ))
     6 6 0 peak 12131 weight  0.1000E+01 volume 40.24810 ppm1 8.323 ppm2 4.004
ASSI { 12141}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 90  and name HA  ))
     6 6 0 peak 12141 weight  0.1000E+01 volume 39.38600 ppm1 8.319 ppm2 4.413
ASSI { 12151}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 12151 weight  0.1000E+01 volume 34.36250 ppm1 8.324 ppm2 6.971
ASSI { 12161}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 92  and name HN  ))
     6 6 0 peak 12161 weight  0.1000E+01 volume 34.28010 ppm1 8.325 ppm2 7.633
ASSI { 12171}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 90  and name HN  ))
     6 6 0 peak 12171 weight  0.1000E+01 volume 36.10900 ppm1 8.323 ppm2 8.120
ASSI { 12281}
  (( segid "PROT" and resid 48  and name HN  ))
  (( segid "PROT" and resid 49  and name HD1  ))
     6 6 0 peak 12281 weight  0.1000E+01 volume 3.58770 ppm1 8.432 ppm2 5.551
ASSI { 12291}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 49  and name HD1  ))
     6 6 0 peak 12291 weight  0.1000E+01 volume 3.23460 ppm1 7.631 ppm2 5.555
ASSI { 12301}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 52  and name HN  ))
     6 6 0 peak 12301 weight  0.1000E+01 volume 12.55810 ppm1 8.510 ppm2 7.194
ASSI { 12311}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 69  and name HN  ))
     6 6 0 peak 12311 weight  0.1000E+01 volume 9.70930 ppm1 8.113 ppm2 7.435
ASSI { 12321}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 71  and name HB2  ))
     6 6 0 peak 12321 weight  0.1000E+01 volume 20.74590 ppm1 8.115 ppm2 2.688
ASSI { 12331}
  (( segid "PROT" and resid 72  and name HN  ))
  (( segid "PROT" and resid 72  and name HB2  ))
     6 6 0 peak 12331 weight  0.1000E+01 volume 15.87600 ppm1 8.904 ppm2 2.148
ASSI { 12341}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 82  and name HB2  ))
     6 6 0 peak 12341 weight  0.1000E+01 volume 13.45020 ppm1 7.480 ppm2 3.102
ASSI { 12351}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 86  and name HB2  ))
     6 6 0 peak 12351 weight  0.1000E+01 volume 4.36470 ppm1 7.485 ppm2 2.932
ASSI { 12361}
  (( segid "PROT" and resid 101  and name HN  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 12361 weight  0.1000E+01 volume 12.64470 ppm1 9.172 ppm2 2.581
ASSI { 12371}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 48  and name HA  ))
     6 6 0 peak 12371 weight  0.1000E+01 volume 22.35740 ppm1 7.634 ppm2 4.658
ASSI { 12381}
  (( segid "PROT" and resid 36  and name HN  ))
  (( segid "PROT" and resid 32  and name HA  ))
     6 6 0 peak 12381 weight  0.1000E+01 volume 6.39740 ppm1 7.166 ppm2 4.367
ASSI { 12391}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 12391 weight  0.1000E+01 volume 7.92450 ppm1 8.662 ppm2 7.009
ASSI { 12401}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 90  and name HN  ))
     6 6 0 peak 12401 weight  0.1000E+01 volume 37.73240 ppm1 8.662 ppm2 8.119
ASSI { 12411}
  (( segid "PROT" and resid 8  and name HN  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 12411 weight  0.1000E+01 volume 12.34900 ppm1 8.029 ppm2 7.360
ASSI { 12421}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 12421 weight  0.1000E+01 volume 6.48810 ppm1 8.936 ppm2 3.787
ASSI { 12431}
  (( segid "PROT" and resid 9  and name HN  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 12431 weight  0.1000E+01 volume 14.69920 ppm1 8.934 ppm2 0.360
ASSI { 12441}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 12441 weight  0.1000E+01 volume 5.52480 ppm1 9.217 ppm2 0.299
ASSI { 12451}
  (( segid "PROT" and resid 10  and name HN  ))
  (( segid "PROT" and resid 11  and name HA  ))
     6 6 0 peak 12451 weight  0.1000E+01 volume 8.78970 ppm1 9.225 ppm2 4.260
ASSI { 12461}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 15  and name HN  ))
     6 6 0 peak 12461 weight  0.1000E+01 volume 16.29070 ppm1 7.205 ppm2 8.160
ASSI { 12471}
  (( segid "PROT" and resid 13  and name HN  ))
  (( segid "PROT" and resid 15  and name HB1  ))
     6 6 0 peak 12471 weight  0.1000E+01 volume 15.62900 ppm1 7.205 ppm2 1.852
ASSI { 12481}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 12481 weight  0.1000E+01 volume 6.40910 ppm1 7.855 ppm2 3.687
ASSI { 12491}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 92  and name HN  ))
     6 6 0 peak 12491 weight  0.1000E+01 volume 10.99870 ppm1 8.122 ppm2 7.632
ASSI { 12501}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 88  and name HN  ))
     6 6 0 peak 12501 weight  0.1000E+01 volume 4.82190 ppm1 8.121 ppm2 7.309
ASSI { 12511}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 12511 weight  0.1000E+01 volume 8.06790 ppm1 8.120 ppm2 6.983
ASSI { 12521}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 89  and name HB2  ))
     6 6 0 peak 12521 weight  0.1000E+01 volume 27.55800 ppm1 8.113 ppm2 3.118
ASSI { 12531}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 89  and name HB1  ))
     6 6 0 peak 12531 weight  0.1000E+01 volume 28.09620 ppm1 8.112 ppm2 3.325
ASSI { 12541}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 91  and name HB2  ))
     6 6 0 peak 12541 weight  0.1000E+01 volume 5.30170 ppm1 8.113 ppm2 2.965
ASSI { 12551}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 89  and name HA  ))
     6 6 0 peak 12551 weight  0.1000E+01 volume 27.45230 ppm1 8.120 ppm2 4.755
ASSI { 12561}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 16  and name HA  ))
     6 6 0 peak 12561 weight  0.1000E+01 volume 10.64310 ppm1 8.149 ppm2 3.940
ASSI { 12571}
  (( segid "PROT" and resid 15  and name HN  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 12571 weight  0.1000E+01 volume 14.67780 ppm1 8.147 ppm2 0.340
ASSI { 12591}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 12591 weight  0.1000E+01 volume 13.60430 ppm1 7.784 ppm2 3.802
ASSI { 12601}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 15  and name HN  ))
     6 6 0 peak 12601 weight  0.1000E+01 volume 9.04650 ppm1 7.442 ppm2 8.134
ASSI { 12611}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 12611 weight  0.1000E+01 volume 9.07270 ppm1 7.444 ppm2 3.670
ASSI { 12621}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 20  and name HD2  ))
     6 6 0 peak 12621 weight  0.1000E+01 volume 4.95760 ppm1 7.440 ppm2 3.318
ASSI { 12641}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 18  and name HG  ))
     6 6 0 peak 12641 weight  0.1000E+01 volume 16.84070 ppm1 7.446 ppm2 1.564
ASSI { 12661}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 12661 weight  0.1000E+01 volume 13.83380 ppm1 7.446 ppm2 0.516
ASSI { 12671}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 16  and name HN  ))
     6 6 0 peak 12671 weight  0.1000E+01 volume 8.27460 ppm1 7.993 ppm2 7.808
ASSI { 12681}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 12681 weight  0.1000E+01 volume 12.97530 ppm1 7.990 ppm2 3.801
ASSI { 12691}
  (( segid "PROT" and resid 18  and name HN  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 12691 weight  0.1000E+01 volume 16.33060 ppm1 7.981 ppm2 3.665
ASSI { 12701}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 19  and name HG2  ))
     6 6 0 peak 12701 weight  0.1000E+01 volume 28.43160 ppm1 8.674 ppm2 2.565
ASSI { 12711}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 12711 weight  0.1000E+01 volume 16.48280 ppm1 8.679 ppm2 2.024
ASSI { 12721}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 20  and name HB2  ))
     6 6 0 peak 12721 weight  0.1000E+01 volume 2.30650 ppm1 8.678 ppm2 1.799
ASSI { 12731}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 12731 weight  0.1000E+01 volume 6.93850 ppm1 7.486 ppm2 6.607
ASSI { 12761}
  (( segid "PROT" and resid 21  and name HN  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 12761 weight  0.1000E+01 volume 8.89470 ppm1 7.482 ppm2 0.521
ASSI { 12771}
  (( segid "PROT" and resid 22  and name HN  ))
  (( segid "PROT" and resid 21  and name HA  ))
     6 6 0 peak 12771 weight  0.1000E+01 volume 6.07990 ppm1 7.043 ppm2 4.183
ASSI { 12781}
  (( segid "PROT" and resid 22  and name HN  ))
  (( segid "PROT" and resid 19  and name HA  ))
     6 6 0 peak 12781 weight  0.1000E+01 volume 8.44910 ppm1 7.047 ppm2 4.415
ASSI { 12801}
  (( segid "PROT" and resid 59  and name HN  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 12801 weight  0.1000E+01 volume 12.46310 ppm1 8.821 ppm2 0.561
ASSI { 12811}
  (( segid "PROT" and resid 59  and name HN  ))
  (( segid "PROT" and resid 59  and name HB2  ))
     6 6 0 peak 12811 weight  0.1000E+01 volume 11.02370 ppm1 8.816 ppm2 1.317
ASSI { 12821}
  (( segid "PROT" and resid 59  and name HN  ))
  (( segid "PROT" and resid 59  and name HG  ))
     6 6 0 peak 12821 weight  0.1000E+01 volume 30.07650 ppm1 8.818 ppm2 1.552
ASSI { 12831}
  (( segid "PROT" and resid 59  and name HN  ))
  (( segid "PROT" and resid 58  and name HB2  ))
     6 6 0 peak 12831 weight  0.1000E+01 volume 7.24590 ppm1 8.819 ppm2 2.292
ASSI { 12841}
  (( segid "PROT" and resid 23  and name HN  ))
  (( segid "PROT" and resid 77  and name HH  ))
     6 6 0 peak 12841 weight  0.1000E+01 volume 3.84920 ppm1 8.759 ppm2 5.853
ASSI { 12851}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 64  and name HN  ))
     6 6 0 peak 12851 weight  0.1000E+01 volume 25.45760 ppm1 8.772 ppm2 7.815
ASSI { 12861}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 65  and name HN  ))
     6 6 0 peak 12861 weight  0.1000E+01 volume 7.59730 ppm1 8.771 ppm2 8.495
ASSI { 12871}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 26  and name HB1  ))
     6 6 0 peak 12871 weight  0.1000E+01 volume 6.98630 ppm1 7.585 ppm2 2.926
ASSI { 12881}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 22  and name HA  ))
     6 6 0 peak 12881 weight  0.1000E+01 volume 10.71370 ppm1 7.580 ppm2 4.301
ASSI { 12891}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 22  and name HN  ))
     6 6 0 peak 12891 weight  0.1000E+01 volume 7.27710 ppm1 7.577 ppm2 7.027
ASSI { 12901}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 26  and name HN  ))
     6 6 0 peak 12901 weight  0.1000E+01 volume 19.34680 ppm1 7.580 ppm2 7.873
ASSI { 12911}
  (( segid "PROT" and resid 24  and name HN  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 12911 weight  0.1000E+01 volume 6.02950 ppm1 7.585 ppm2 0.656
ASSI { 12921}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 25  and name HG  ))
     6 6 0 peak 12921 weight  0.1000E+01 volume 44.98670 ppm1 7.270 ppm2 2.394
ASSI { 12931}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 23  and name HG2  ))
     6 6 0 peak 12931 weight  0.1000E+01 volume 12.26460 ppm1 7.273 ppm2 2.076
ASSI { 12941}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 22  and name HA  ))
     6 6 0 peak 12941 weight  0.1000E+01 volume 7.55890 ppm1 7.275 ppm2 4.315
ASSI { 12951}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 24  and name HA  ))
     6 6 0 peak 12951 weight  0.1000E+01 volume 33.35600 ppm1 7.267 ppm2 3.990
ASSI { 12961}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 26  and name HA  ))
     6 6 0 peak 12961 weight  0.1000E+01 volume 6.21720 ppm1 7.264 ppm2 3.733
ASSI { 12971}
  (( segid "PROT" and resid 25  and name HN  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 12971 weight  0.1000E+01 volume 5.17480 ppm1 7.272 ppm2 0.563
ASSI { 12981}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 27  and name HB2  ))
     6 6 0 peak 12981 weight  0.1000E+01 volume 16.58400 ppm1 7.896 ppm2 1.851
ASSI { 12991}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 27  and name HG1  ))
     6 6 0 peak 12991 weight  0.1000E+01 volume 7.78540 ppm1 7.890 ppm2 1.703
ASSI { 13001}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 24  and name HN  ))
     6 6 0 peak 13001 weight  0.1000E+01 volume 7.48560 ppm1 7.898 ppm2 7.584
ASSI { 13011}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 23  and name HN  ))
     6 6 0 peak 13011 weight  0.1000E+01 volume 2.81260 ppm1 7.894 ppm2 8.775
ASSI { 13021}
  (( segid "PROT" and resid 26  and name HN  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 13021 weight  0.1000E+01 volume 4.99640 ppm1 7.901 ppm2 6.641
ASSI { 13041}
  (( segid "PROT" and resid 27  and name HN  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 13041 weight  0.1000E+01 volume 4.39860 ppm1 7.833 ppm2 1.414
ASSI { 13061}
  (( segid "PROT" and resid 27  and name HN  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 13061 weight  0.1000E+01 volume 7.69220 ppm1 7.833 ppm2 0.869
ASSI { 13071}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 13071 weight  0.1000E+01 volume 11.63140 ppm1 7.295 ppm2 6.996
ASSI { 13081}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 32  and name HB1  ))
     6 6 0 peak 13081 weight  0.1000E+01 volume 9.73530 ppm1 7.290 ppm2 4.406
ASSI { 13091}
  (( segid "PROT" and resid 28  and name HN  ))
  (( segid "PROT" and resid 27  and name HA  ))
     6 6 0 peak 13091 weight  0.1000E+01 volume 20.42700 ppm1 7.294 ppm2 4.041
ASSI { 13101}
  (( segid "PROT" and resid 84  and name HN  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 13101 weight  0.1000E+01 volume 34.99020 ppm1 7.320 ppm2 1.221
ASSI { 13111}
  (( segid "PROT" and resid 84  and name HN  ))
  (( segid "PROT" and resid 82  and name HB2  ))
     6 6 0 peak 13111 weight  0.1000E+01 volume 10.49150 ppm1 7.322 ppm2 3.079
ASSI { 13121}
  (( segid "PROT" and resid 84  and name HN  ))
  (( segid "PROT" and resid 84  and name HA  ))
     6 6 0 peak 13121 weight  0.1000E+01 volume 38.24870 ppm1 7.317 ppm2 3.700
ASSI { 13131}
  (( segid "PROT" and resid 84  and name HN  ))
  (( segid "PROT" and resid 80  and name HA  ))
     6 6 0 peak 13131 weight  0.1000E+01 volume 7.36120 ppm1 7.319 ppm2 4.580
ASSI { 13141}
  (( segid "PROT" and resid 84  and name HN  ))
  (( segid "PROT" and resid 83  and name HN  ))
     6 6 0 peak 13141 weight  0.1000E+01 volume 16.32750 ppm1 7.320 ppm2 8.070
ASSI { 13151}
  (( segid "PROT" and resid 84  and name HN  ))
  (( segid "PROT" and resid 85  and name HN  ))
     6 6 0 peak 13151 weight  0.1000E+01 volume 18.10710 ppm1 7.325 ppm2 7.454
ASSI { 13161}
  (( segid "PROT" and resid 29  and name HN  ))
  (( segid "PROT" and resid 32  and name HN  ))
     6 6 0 peak 13161 weight  0.1000E+01 volume 14.86710 ppm1 8.260 ppm2 7.994
ASSI { 13171}
  (( segid "PROT" and resid 29  and name HN  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 13171 weight  0.1000E+01 volume 6.33340 ppm1 8.252 ppm2 7.008
ASSI { 13181}
  (( segid "PROT" and resid 29  and name HN  ))
  (( segid "PROT" and resid 31  and name HN  ))
     6 6 0 peak 13181 weight  0.1000E+01 volume 6.54450 ppm1 8.258 ppm2 9.485
ASSI { 13191}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 13191 weight  0.1000E+01 volume 6.01720 ppm1 8.012 ppm2 7.432
ASSI { 13201}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 29  and name HA  ))
     6 6 0 peak 13201 weight  0.1000E+01 volume 55.04580 ppm1 8.011 ppm2 4.735
ASSI { 13211}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 29  and name HB2  ))
     6 6 0 peak 13211 weight  0.1000E+01 volume 13.73660 ppm1 8.009 ppm2 2.298
ASSI { 13221}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 13221 weight  0.1000E+01 volume 6.28910 ppm1 8.008 ppm2 2.596
ASSI { 13231}
  (( segid "PROT" and resid 32  and name HN  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 13231 weight  0.1000E+01 volume 10.03900 ppm1 8.008 ppm2 0.863
ASSI { 13241}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 29  and name HN  ))
     6 6 0 peak 13241 weight  0.1000E+01 volume 8.83170 ppm1 9.475 ppm2 8.257
ASSI { 13251}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 32  and name HB1  ))
     6 6 0 peak 13251 weight  0.1000E+01 volume 6.38650 ppm1 9.475 ppm2 4.398
ASSI { 13261}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 28  and name HA  ))
     6 6 0 peak 13261 weight  0.1000E+01 volume 5.21250 ppm1 9.471 ppm2 4.129
ASSI { 13271}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 101  and name HA  ))
     6 6 0 peak 13271 weight  0.1000E+01 volume 9.61760 ppm1 9.473 ppm2 4.481
ASSI { 13281}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 101  and name HB1  ))
     6 6 0 peak 13281 weight  0.1000E+01 volume 6.55920 ppm1 9.480 ppm2 3.947
ASSI { 13291}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 30  and name HG1  ))
     6 6 0 peak 13291 weight  0.1000E+01 volume 16.44790 ppm1 9.474 ppm2 1.933
ASSI { 13301}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 13301 weight  0.1000E+01 volume 6.55860 ppm1 9.475 ppm2 0.373
ASSI { 13311}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 34  and name HD1  ))
     6 6 0 peak 13311 weight  0.1000E+01 volume 18.95310 ppm1 7.989 ppm2 3.826
ASSI { 13321}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 13321 weight  0.1000E+01 volume 8.87490 ppm1 7.989 ppm2 7.261
ASSI { 13331}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 35  and name HB2  ))
     6 6 0 peak 13331 weight  0.1000E+01 volume 6.76100 ppm1 7.989 ppm2 2.592
ASSI { 13341}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 34  and name HG1  ))
     6 6 0 peak 13341 weight  0.1000E+01 volume 23.65910 ppm1 7.991 ppm2 1.915
ASSI { 13351}
  (( segid "PROT" and resid 33  and name HN  ))
  (( segid "PROT" and resid 33  and name HB2  ))
     6 6 0 peak 13351 weight  0.1000E+01 volume 15.20420 ppm1 7.989 ppm2 1.599
ASSI { 13361}
  (( segid "PROT" and resid 97  and name HN  ))
  (( segid "PROT" and resid 96  and name HN  ))
     6 6 0 peak 13361 weight  0.1000E+01 volume 2.68120 ppm1 8.820 ppm2 7.845
ASSI { 13371}
  (( segid "PROT" and resid 37  and name HN  ))
  (( segid "PROT" and resid 59  and name HN  ))
     6 6 0 peak 13371 weight  0.1000E+01 volume 12.71060 ppm1 7.586 ppm2 8.822
ASSI { 13381}
  (( segid "PROT" and resid 55  and name HD22  ))
  (( segid "PROT" and resid 55  and name HN  ))
     6 6 0 peak 13381 weight  0.1000E+01 volume 23.35380 ppm1 7.610 ppm2 8.589
ASSI { 13391}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 117  and name HN  ))
     6 6 0 peak 13391 weight  0.1000E+01 volume 30.35880 ppm1 7.617 ppm2 8.458
ASSI { 13401}
  (( segid "PROT" and resid 37  and name HN  ))
  (( segid "PROT" and resid 36  and name HN  ))
     6 6 0 peak 13401 weight  0.1000E+01 volume 59.85390 ppm1 7.583 ppm2 7.170
ASSI { 13411}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 117  and name HA  ))
     6 6 0 peak 13411 weight  0.1000E+01 volume 46.54260 ppm1 7.614 ppm2 4.304
ASSI { 13421}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 13421 weight  0.1000E+01 volume 18.68780 ppm1 7.610 ppm2 0.777
ASSI { 13431}
  (( segid "PROT" and resid 37  and name HN  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 13431 weight  0.1000E+01 volume 5.12560 ppm1 7.581 ppm2 0.193
ASSI { 13441}
  (( segid "PROT" and resid 37  and name HN  ))
  (( segid "PROT" and resid 39  and name HG1#  ))
     6 6 0 peak 13441 weight  0.1000E+01 volume 3.45500 ppm1 7.578 ppm2 0.376
ASSI { 13451}
  (( segid "PROT" and resid 37  and name HN  ))
  (( segid "PROT" and resid 36  and name HG2  ))
     6 6 0 peak 13451 weight  0.1000E+01 volume 30.08710 ppm1 7.580 ppm2 1.337
ASSI { 13461}
  (( segid "PROT" and resid 37  and name HN  ))
  (( segid "PROT" and resid 36  and name HD2  ))
     6 6 0 peak 13461 weight  0.1000E+01 volume 10.82870 ppm1 7.583 ppm2 3.076
ASSI { 13471}
  (( segid "PROT" and resid 37  and name HN  ))
  (( segid "PROT" and resid 36  and name HD1  ))
     6 6 0 peak 13471 weight  0.1000E+01 volume 11.13480 ppm1 7.573 ppm2 3.226
ASSI { 13481}
  (( segid "PROT" and resid 37  and name HN  ))
  (( segid "PROT" and resid 38  and name HD2  ))
     6 6 0 peak 13481 weight  0.1000E+01 volume 14.78770 ppm1 7.585 ppm2 3.462
ASSI { 13491}
  (( segid "PROT" and resid 37  and name HN  ))
  (( segid "PROT" and resid 37  and name HA  ))
     6 6 0 peak 13491 weight  0.1000E+01 volume 113.65130 ppm1 7.583 ppm2 4.857
ASSI { 13501}
  (( segid "PROT" and resid 55  and name HD22  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 13501 weight  0.1000E+01 volume 10.57400 ppm1 7.609 ppm2 5.243
ASSI { 13511}
  (( segid "PROT" and resid 39  and name HN  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 13511 weight  0.1000E+01 volume 4.11870 ppm1 8.444 ppm2 6.328
ASSI { 13521}
  (( segid "PROT" and resid 39  and name HN  ))
  (( segid "PROT" and resid 41  and name HD1  ))
     6 6 0 peak 13521 weight  0.1000E+01 volume 3.69540 ppm1 8.450 ppm2 3.791
ASSI { 13531}
  (( segid "PROT" and resid 39  and name HN  ))
  (( segid "PROT" and resid 38  and name HG1  ))
     6 6 0 peak 13531 weight  0.1000E+01 volume 9.94330 ppm1 8.449 ppm2 1.991
ASSI { 13541}
  (( segid "PROT" and resid 39  and name HN  ))
  (( segid "PROT" and resid 38  and name HB2  ))
     6 6 0 peak 13541 weight  0.1000E+01 volume 7.15640 ppm1 8.443 ppm2 1.624
ASSI { 13551}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 39  and name HN  ))
     6 6 0 peak 13551 weight  0.1000E+01 volume 6.03940 ppm1 7.276 ppm2 8.460
ASSI { 13561}
  (( segid "PROT" and resid 40  and name HN  ))
  (( segid "PROT" and resid 44  and name HD1#  ))
     6 6 0 peak 13561 weight  0.1000E+01 volume 35.08500 ppm1 7.279 ppm2 0.480
ASSI { 13571}
  (( segid "PROT" and resid 42  and name HN  ))
  (( segid "PROT" and resid 41  and name HA  ))
     6 6 0 peak 13571 weight  0.1000E+01 volume 45.44350 ppm1 7.756 ppm2 3.661
ASSI { 13581}
  (( segid "PROT" and resid 43  and name HN  ))
  (( segid "PROT" and resid 41  and name HD1  ))
     6 6 0 peak 13581 weight  0.1000E+01 volume 8.42150 ppm1 7.415 ppm2 3.768
ASSI { 13591}
  (( segid "PROT" and resid 43  and name HN  ))
  (( segid "PROT" and resid 41  and name HA  ))
     6 6 0 peak 13591 weight  0.1000E+01 volume 7.15280 ppm1 7.416 ppm2 3.651
ASSI { 13601}
  (( segid "PROT" and resid 43  and name HN  ))
  (( segid "PROT" and resid 44  and name HD1#  ))
     6 6 0 peak 13601 weight  0.1000E+01 volume 8.85890 ppm1 7.413 ppm2 0.478
ASSI { 13611}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 41  and name HA  ))
     6 6 0 peak 13611 weight  0.1000E+01 volume 28.86360 ppm1 7.383 ppm2 3.647
ASSI { 13621}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 46  and name HA  ))
     6 6 0 peak 13621 weight  0.1000E+01 volume 6.30850 ppm1 7.389 ppm2 4.968
ASSI { 13631}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 44  and name HN  ))
     6 6 0 peak 13631 weight  0.1000E+01 volume 46.25150 ppm1 7.386 ppm2 7.537
ASSI { 13641}
  (( segid "PROT" and resid 44  and name HN  ))
  (( segid "PROT" and resid 45  and name HN  ))
     6 6 0 peak 13641 weight  0.1000E+01 volume 77.60020 ppm1 7.546 ppm2 7.415
ASSI { 13651}
  (( segid "PROT" and resid 44  and name HN  ))
  (( segid "PROT" and resid 42  and name HN  ))
     6 6 0 peak 13651 weight  0.1000E+01 volume 2.73850 ppm1 7.545 ppm2 7.754
ASSI { 13661}
  (( segid "PROT" and resid 44  and name HN  ))
  (( segid "PROT" and resid 43  and name HA  ))
     6 6 0 peak 13661 weight  0.1000E+01 volume 24.92960 ppm1 7.549 ppm2 4.015
ASSI { 13671}
  (( segid "PROT" and resid 44  and name HN  ))
  (( segid "PROT" and resid 41  and name HA  ))
     6 6 0 peak 13671 weight  0.1000E+01 volume 13.46380 ppm1 7.548 ppm2 3.641
ASSI { 13681}
  (( segid "PROT" and resid 44  and name HN  ))
  (( segid "PROT" and resid 46  and name HG2#  ))
     6 6 0 peak 13681 weight  0.1000E+01 volume 9.89770 ppm1 7.545 ppm2 1.006
ASSI { 13691}
  (( segid "PROT" and resid 44  and name HN  ))
  (( segid "PROT" and resid 46  and name HB  ))
     6 6 0 peak 13691 weight  0.1000E+01 volume 16.98600 ppm1 7.544 ppm2 2.357
ASSI { 13701}
  (( segid "PROT" and resid 48  and name HN  ))
  (( segid "PROT" and resid 47  and name HD2  ))
     6 6 0 peak 13701 weight  0.1000E+01 volume 16.80400 ppm1 8.425 ppm2 3.325
ASSI { 13721}
  (( segid "PROT" and resid 48  and name HN  ))
  (( segid "PROT" and resid 47  and name HD1  ))
     6 6 0 peak 13721 weight  0.1000E+01 volume 46.83700 ppm1 8.431 ppm2 3.748
ASSI { 13741}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 51  and name HN  ))
     6 6 0 peak 13741 weight  0.1000E+01 volume 9.66430 ppm1 7.997 ppm2 7.637
ASSI { 13761}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 48  and name HA  ))
     6 6 0 peak 13761 weight  0.1000E+01 volume 5.32430 ppm1 8.501 ppm2 4.670
ASSI { 13771}
  (( segid "PROT" and resid 50  and name HN  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 13771 weight  0.1000E+01 volume 6.44820 ppm1 8.511 ppm2 6.329
ASSI { 13781}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 49  and name HB2  ))
     6 6 0 peak 13781 weight  0.1000E+01 volume 9.20430 ppm1 7.635 ppm2 2.061
ASSI { 13791}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 13791 weight  0.1000E+01 volume 4.81110 ppm1 7.633 ppm2 3.711
ASSI { 13801}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 53  and name HN  ))
     6 6 0 peak 13801 weight  0.1000E+01 volume 25.65370 ppm1 7.637 ppm2 8.616
ASSI { 13811}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 13811 weight  0.1000E+01 volume 12.62790 ppm1 7.635 ppm2 7.423
ASSI { 13821}
  (( segid "PROT" and resid 51  and name HN  ))
  (( segid "PROT" and resid 49  and name HN  ))
     6 6 0 peak 13821 weight  0.1000E+01 volume 6.14920 ppm1 7.635 ppm2 8.006
ASSI { 13831}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 13831 weight  0.1000E+01 volume 6.38120 ppm1 7.181 ppm2 7.415
ASSI { 13841}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 13841 weight  0.1000E+01 volume 9.11680 ppm1 7.186 ppm2 6.979
ASSI { 13851}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 53  and name HA  ))
     6 6 0 peak 13851 weight  0.1000E+01 volume 5.87910 ppm1 7.183 ppm2 3.560
ASSI { 13861}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 13861 weight  0.1000E+01 volume 7.16460 ppm1 7.179 ppm2 3.710
ASSI { 13871}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 13871 weight  0.1000E+01 volume 3.79890 ppm1 8.614 ppm2 7.429
ASSI { 13881}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 13881 weight  0.1000E+01 volume 8.23770 ppm1 8.610 ppm2 6.976
ASSI { 13891}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 13891 weight  0.1000E+01 volume 6.74980 ppm1 8.616 ppm2 6.807
ASSI { 13901}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 51  and name HA  ))
     6 6 0 peak 13901 weight  0.1000E+01 volume 5.69230 ppm1 8.622 ppm2 4.485
ASSI { 13911}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 51  and name HB2  ))
     6 6 0 peak 13911 weight  0.1000E+01 volume 6.97660 ppm1 8.618 ppm2 2.730
ASSI { 13931}
  (( segid "PROT" and resid 53  and name HN  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 13931 weight  0.1000E+01 volume 4.19160 ppm1 8.615 ppm2 0.910
ASSI { 13941}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 56  and name HA  ))
     6 6 0 peak 13941 weight  0.1000E+01 volume 6.17000 ppm1 8.589 ppm2 4.079
ASSI { 13951}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 59  and name HN  ))
     6 6 0 peak 13951 weight  0.1000E+01 volume 2.68420 ppm1 7.265 ppm2 8.786
ASSI { 13961}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 62  and name HN  ))
     6 6 0 peak 13961 weight  0.1000E+01 volume 11.47940 ppm1 7.264 ppm2 7.516
ASSI { 13971}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 58  and name HB1  ))
     6 6 0 peak 13971 weight  0.1000E+01 volume 12.66540 ppm1 7.267 ppm2 2.613
ASSI { 13981}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 62  and name HN  ))
     6 6 0 peak 13981 weight  0.1000E+01 volume 6.87900 ppm1 8.233 ppm2 7.558
ASSI { 13991}
  (( segid "PROT" and resid 60  and name HN  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 13991 weight  0.1000E+01 volume 6.26290 ppm1 8.239 ppm2 0.562
ASSI { 14001}
  (( segid "PROT" and resid 95  and name HN  ))
  (( segid "PROT" and resid 93  and name HA  ))
     6 6 0 peak 14001 weight  0.1000E+01 volume 9.78280 ppm1 6.879 ppm2 4.306
ASSI { 14011}
  (( segid "PROT" and resid 95  and name HN  ))
  (( segid "PROT" and resid 96  and name HN  ))
     6 6 0 peak 14011 weight  0.1000E+01 volume 11.27670 ppm1 6.878 ppm2 7.867
ASSI { 14021}
  (( segid "PROT" and resid 95  and name HN  ))
  (( segid "PROT" and resid 94  and name HN  ))
     6 6 0 peak 14021 weight  0.1000E+01 volume 10.58330 ppm1 6.877 ppm2 8.825
ASSI { 14031}
  (( segid "PROT" and resid 95  and name HN  ))
  (( segid "PROT" and resid 93  and name HB1  ))
     6 6 0 peak 14031 weight  0.1000E+01 volume 8.86100 ppm1 6.883 ppm2 1.904
ASSI { 14041}
  (( segid "PROT" and resid 62  and name HN  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 14041 weight  0.1000E+01 volume 4.66940 ppm1 7.526 ppm2 0.558
ASSI { 14051}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 62  and name HA  ))
     6 6 0 peak 14051 weight  0.1000E+01 volume 23.80700 ppm1 8.778 ppm2 3.931
ASSI { 14061}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 62  and name HG12  ))
     6 6 0 peak 14061 weight  0.1000E+01 volume 5.60010 ppm1 8.774 ppm2 0.871
ASSI { 14071}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 14071 weight  0.1000E+01 volume 6.59170 ppm1 8.775 ppm2 0.354
ASSI { 14081}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 71  and name HD1  ))
     6 6 0 peak 14081 weight  0.1000E+01 volume 6.32020 ppm1 8.479 ppm2 6.817
ASSI { 14091}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 65  and name HE1  ))
     6 6 0 peak 14091 weight  0.1000E+01 volume 8.05560 ppm1 8.466 ppm2 2.385
ASSI { 14101}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 65  and name HB1  ))
     6 6 0 peak 14101 weight  0.1000E+01 volume 5.04130 ppm1 8.468 ppm2 2.245
ASSI { 14111}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 62  and name HA  ))
     6 6 0 peak 14111 weight  0.1000E+01 volume 9.55920 ppm1 8.562 ppm2 3.926
ASSI { 14121}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 67  and name HB1  ))
     6 6 0 peak 14121 weight  0.1000E+01 volume 7.00540 ppm1 8.563 ppm2 2.860
ASSI { 14131}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 67  and name HB2  ))
     6 6 0 peak 14131 weight  0.1000E+01 volume 4.34190 ppm1 8.565 ppm2 2.598
ASSI { 14141}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 65  and name HB1  ))
     6 6 0 peak 14141 weight  0.1000E+01 volume 4.25040 ppm1 8.566 ppm2 2.214
ASSI { 14151}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 65  and name HD1  ))
     6 6 0 peak 14151 weight  0.1000E+01 volume 11.58320 ppm1 8.560 ppm2 1.534
ASSI { 14161}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 14161 weight  0.1000E+01 volume 11.54850 ppm1 9.133 ppm2 0.757
ASSI { 14171}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 70  and name HN  ))
     6 6 0 peak 14171 weight  0.1000E+01 volume 12.43350 ppm1 7.750 ppm2 8.384
ASSI { 14181}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 66  and name HN  ))
     6 6 0 peak 14181 weight  0.1000E+01 volume 5.80900 ppm1 7.754 ppm2 8.568
ASSI { 14191}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 71  and name HD1  ))
     6 6 0 peak 14191 weight  0.1000E+01 volume 8.14590 ppm1 7.428 ppm2 6.838
ASSI { 14201}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 67  and name HB1  ))
     6 6 0 peak 14201 weight  0.1000E+01 volume 3.90390 ppm1 7.432 ppm2 2.845
ASSI { 14211}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 67  and name HB2  ))
     6 6 0 peak 14211 weight  0.1000E+01 volume 5.93190 ppm1 7.435 ppm2 2.629
ASSI { 14221}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 70  and name HB1  ))
     6 6 0 peak 14221 weight  0.1000E+01 volume 6.24910 ppm1 7.429 ppm2 2.021
ASSI { 14241}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 70  and name HB2  ))
     6 6 0 peak 14241 weight  0.1000E+01 volume 7.46310 ppm1 7.433 ppm2 1.077
ASSI { 14251}
  (( segid "PROT" and resid 69  and name HN  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 14251 weight  0.1000E+01 volume 8.07420 ppm1 7.438 ppm2 0.865
ASSI { 14271}
  (( segid "PROT" and resid 70  and name HN  ))
  (( segid "PROT" and resid 71  and name HB1  ))
     6 6 0 peak 14271 weight  0.1000E+01 volume 8.56320 ppm1 8.381 ppm2 2.756
ASSI { 14281}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 72  and name HN  ))
     6 6 0 peak 14281 weight  0.1000E+01 volume 25.82730 ppm1 8.113 ppm2 8.909
ASSI { 14291}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 73  and name HN  ))
     6 6 0 peak 14291 weight  0.1000E+01 volume 5.08440 ppm1 8.115 ppm2 7.668
ASSI { 14301}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 68  and name HN  ))
     6 6 0 peak 14301 weight  0.1000E+01 volume 2.57240 ppm1 8.114 ppm2 7.768
ASSI { 14311}
  (( segid "PROT" and resid 72  and name HN  ))
  (( segid "PROT" and resid 71  and name HB2  ))
     6 6 0 peak 14311 weight  0.1000E+01 volume 11.39080 ppm1 8.904 ppm2 2.677
ASSI { 14341}
  (( segid "PROT" and resid 73  and name HN  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 14341 weight  0.1000E+01 volume 5.28850 ppm1 7.663 ppm2 0.291
ASSI { 14351}
  (( segid "PROT" and resid 75  and name HN  ))
  (( segid "PROT" and resid 75  and name HE1  ))
     6 6 0 peak 14351 weight  0.1000E+01 volume 7.70940 ppm1 7.910 ppm2 10.301
ASSI { 14361}
  (( segid "PROT" and resid 75  and name HN  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 14361 weight  0.1000E+01 volume 69.26160 ppm1 7.916 ppm2 7.494
ASSI { 14401}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 73  and name HG1  ))
     6 6 0 peak 14401 weight  0.1000E+01 volume 7.21460 ppm1 6.940 ppm2 2.429
ASSI { 14411}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 76  and name HB2  ))
     6 6 0 peak 14411 weight  0.1000E+01 volume 24.19360 ppm1 6.943 ppm2 2.097
ASSI { 14421}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 79  and name HB1  ))
     6 6 0 peak 14421 weight  0.1000E+01 volume 5.85630 ppm1 6.937 ppm2 2.854
ASSI { 14431}
  (( segid "PROT" and resid 76  and name HN  ))
  (( segid "PROT" and resid 75  and name HB1  ))
     6 6 0 peak 14431 weight  0.1000E+01 volume 5.04750 ppm1 6.944 ppm2 3.524
ASSI { 14441}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 14441 weight  0.1000E+01 volume 5.98660 ppm1 6.292 ppm2 3.079
ASSI { 14451}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 14451 weight  0.1000E+01 volume 7.69440 ppm1 6.290 ppm2 1.284
ASSI { 14461}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 75  and name HN  ))
     6 6 0 peak 14461 weight  0.1000E+01 volume 7.79650 ppm1 6.291 ppm2 7.913
ASSI { 14471}
  (( segid "PROT" and resid 77  and name HN  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 14471 weight  0.1000E+01 volume 5.56000 ppm1 6.294 ppm2 7.534
ASSI { 14481}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 14481 weight  0.1000E+01 volume 7.35510 ppm1 7.331 ppm2 3.777
ASSI { 14491}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 76  and name HN  ))
     6 6 0 peak 14491 weight  0.1000E+01 volume 8.82950 ppm1 7.330 ppm2 6.936
ASSI { 14501}
  (( segid "PROT" and resid 78  and name HN  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 14501 weight  0.1000E+01 volume 13.27620 ppm1 7.331 ppm2 7.515
ASSI { 14521}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 14521 weight  0.1000E+01 volume 17.71780 ppm1 8.431 ppm2 7.539
ASSI { 14531}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 76  and name HN  ))
     6 6 0 peak 14531 weight  0.1000E+01 volume 11.37200 ppm1 8.443 ppm2 6.905
ASSI { 14541}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 75  and name HB1  ))
     6 6 0 peak 14541 weight  0.1000E+01 volume 6.73680 ppm1 8.438 ppm2 3.615
ASSI { 14551}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 75  and name HB2  ))
     6 6 0 peak 14551 weight  0.1000E+01 volume 8.10640 ppm1 8.433 ppm2 3.289
ASSI { 14571}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 83  and name HB2  ))
     6 6 0 peak 14571 weight  0.1000E+01 volume 9.20940 ppm1 7.167 ppm2 1.681
ASSI { 14581}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 78  and name HB  ))
     6 6 0 peak 14581 weight  0.1000E+01 volume 12.29190 ppm1 7.177 ppm2 2.304
ASSI { 14591}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 76  and name HN  ))
     6 6 0 peak 14591 weight  0.1000E+01 volume 10.47590 ppm1 7.166 ppm2 6.878
ASSI { 14601}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 82  and name HN  ))
     6 6 0 peak 14601 weight  0.1000E+01 volume 7.20190 ppm1 7.161 ppm2 7.963
ASSI { 14611}
  (( segid "PROT" and resid 81  and name HN  ))
  (( segid "PROT" and resid 79  and name HN  ))
     6 6 0 peak 14611 weight  0.1000E+01 volume 3.52100 ppm1 7.416 ppm2 8.425
ASSI { 14621}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 80  and name HB1  ))
     6 6 0 peak 14621 weight  0.1000E+01 volume 22.57080 ppm1 7.944 ppm2 2.821
ASSI { 14631}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 14631 weight  0.1000E+01 volume 8.76930 ppm1 7.945 ppm2 6.083
ASSI { 14641}
  (( segid "PROT" and resid 82  and name HN  ))
  (( segid "PROT" and resid 82  and name HE1  ))
     6 6 0 peak 14641 weight  0.1000E+01 volume 4.32110 ppm1 7.953 ppm2 10.500
ASSI { 14651}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 86  and name HB2  ))
     6 6 0 peak 14651 weight  0.1000E+01 volume 7.44860 ppm1 8.072 ppm2 2.905
ASSI { 14661}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 14661 weight  0.1000E+01 volume 6.82970 ppm1 8.074 ppm2 4.015
ASSI { 14671}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 14671 weight  0.1000E+01 volume 4.60030 ppm1 9.601 ppm2 0.914
ASSI { 14681}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 89  and name HE3  ))
     6 6 0 peak 14681 weight  0.1000E+01 volume 13.46520 ppm1 9.603 ppm2 7.637
ASSI { 14691}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 86  and name HD21  ))
     6 6 0 peak 14691 weight  0.1000E+01 volume 6.41120 ppm1 9.600 ppm2 7.798
ASSI { 14701}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 82  and name HN  ))
     6 6 0 peak 14701 weight  0.1000E+01 volume 9.08830 ppm1 9.599 ppm2 7.909
ASSI { 14711}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 89  and name HN  ))
     6 6 0 peak 14711 weight  0.1000E+01 volume 5.25140 ppm1 8.926 ppm2 8.660
ASSI { 14721}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 90  and name HN  ))
     6 6 0 peak 14721 weight  0.1000E+01 volume 7.07050 ppm1 8.922 ppm2 8.119
ASSI { 14731}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 85  and name HN  ))
     6 6 0 peak 14731 weight  0.1000E+01 volume 11.92790 ppm1 8.924 ppm2 7.495
ASSI { 14761}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 83  and name HB1  ))
     6 6 0 peak 14761 weight  0.1000E+01 volume 13.61540 ppm1 8.922 ppm2 2.205
ASSI { 14771}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 83  and name HG  ))
     6 6 0 peak 14771 weight  0.1000E+01 volume 1.36120 ppm1 8.928 ppm2 1.444
ASSI { 14781}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 90  and name HD1#  ))
     6 6 0 peak 14781 weight  0.1000E+01 volume 10.65570 ppm1 8.926 ppm2 1.027
ASSI { 14791}
  (( segid "PROT" and resid 99  and name HN  ))
  (( segid "PROT" and resid 98  and name HB  ))
     6 6 0 peak 14791 weight  0.1000E+01 volume 18.61940 ppm1 7.316 ppm2 1.601
ASSI { 14801}
  (( segid "PROT" and resid 99  and name HN  ))
  (( segid "PROT" and resid 99  and name HB2  ))
     6 6 0 peak 14801 weight  0.1000E+01 volume 31.01370 ppm1 7.316 ppm2 2.567
ASSI { 14811}
  (( segid "PROT" and resid 99  and name HN  ))
  (( segid "PROT" and resid 99  and name HA  ))
     6 6 0 peak 14811 weight  0.1000E+01 volume 21.66750 ppm1 7.319 ppm2 3.727
ASSI { 14821}
  (( segid "PROT" and resid 99  and name HN  ))
  (( segid "PROT" and resid 98  and name HN  ))
     6 6 0 peak 14821 weight  0.1000E+01 volume 26.06540 ppm1 7.318 ppm2 8.053
ASSI { 14831}
  (( segid "PROT" and resid 99  and name HN  ))
  (( segid "PROT" and resid 100  and name HN  ))
     6 6 0 peak 14831 weight  0.1000E+01 volume 30.06900 ppm1 7.317 ppm2 7.766
ASSI { 14841}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 89  and name HD1  ))
     6 6 0 peak 14841 weight  0.1000E+01 volume 28.29010 ppm1 7.318 ppm2 7.117
ASSI { 14861}
  (( segid "PROT" and resid 99  and name HN  ))
  (( segid "PROT" and resid 101  and name HN  ))
     6 6 0 peak 14861 weight  0.1000E+01 volume 7.15480 ppm1 7.325 ppm2 9.179
ASSI { 14871}
  (( segid "PROT" and resid 99  and name HN  ))
  (( segid "PROT" and resid 94  and name HA  ))
     6 6 0 peak 14871 weight  0.1000E+01 volume 9.75150 ppm1 7.324 ppm2 2.186
ASSI { 14881}
  (( segid "PROT" and resid 99  and name HN  ))
  (( segid "PROT" and resid 100  and name HB1  ))
     6 6 0 peak 14881 weight  0.1000E+01 volume 8.83770 ppm1 7.321 ppm2 2.010
ASSI { 14891}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 14891 weight  0.1000E+01 volume 6.07940 ppm1 7.308 ppm2 6.087
ASSI { 14901}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 92  and name HN  ))
     6 6 0 peak 14901 weight  0.1000E+01 volume 14.21110 ppm1 7.310 ppm2 7.645
ASSI { 14911}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 90  and name HD2#  ))
     6 6 0 peak 14911 weight  0.1000E+01 volume 9.98220 ppm1 8.667 ppm2 1.004
ASSI { 14921}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 90  and name HB1  ))
     6 6 0 peak 14921 weight  0.1000E+01 volume 8.45950 ppm1 8.665 ppm2 2.160
ASSI { 14931}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 88  and name HA  ))
     6 6 0 peak 14931 weight  0.1000E+01 volume 9.95690 ppm1 8.661 ppm2 4.363
ASSI { 14941}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 87  and name HN  ))
     6 6 0 peak 14941 weight  0.1000E+01 volume 13.51450 ppm1 8.664 ppm2 8.927
ASSI { 14951}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 91  and name HN  ))
     6 6 0 peak 14951 weight  0.1000E+01 volume 8.14670 ppm1 8.656 ppm2 8.337
ASSI { 14961}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 14961 weight  0.1000E+01 volume 8.12900 ppm1 8.328 ppm2 6.810
ASSI { 14971}
  (( segid "PROT" and resid 91  and name HN  ))
  (( segid "PROT" and resid 92  and name HA  ))
     6 6 0 peak 14971 weight  0.1000E+01 volume 6.64330 ppm1 8.323 ppm2 4.649
ASSI { 14981}
  (( segid "PROT" and resid 92  and name HN  ))
  (( segid "PROT" and resid 93  and name HN  ))
     6 6 0 peak 14981 weight  0.1000E+01 volume 16.96020 ppm1 7.631 ppm2 8.795
ASSI { 14991}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 14991 weight  0.1000E+01 volume 3.35010 ppm1 8.116 ppm2 0.583
ASSI { 15001}
  (( segid "PROT" and resid 93  and name HN  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 15001 weight  0.1000E+01 volume 7.20520 ppm1 8.792 ppm2 6.956
ASSI { 15011}
  (( segid "PROT" and resid 93  and name HN  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 15011 weight  0.1000E+01 volume 3.70230 ppm1 8.797 ppm2 6.871
ASSI { 15031}
  (( segid "PROT" and resid 93  and name HN  ))
  (( segid "PROT" and resid 92  and name HN  ))
     6 6 0 peak 15031 weight  0.1000E+01 volume 7.05190 ppm1 8.796 ppm2 7.629
ASSI { 15041}
  (( segid "PROT" and resid 100  and name HN  ))
  (( segid "PROT" and resid 100  and name HG2  ))
     6 6 0 peak 15041 weight  0.1000E+01 volume 18.00310 ppm1 7.758 ppm2 1.616
ASSI { 15051}
  (( segid "PROT" and resid 100  and name HN  ))
  (( segid "PROT" and resid 98  and name HN  ))
     6 6 0 peak 15051 weight  0.1000E+01 volume 12.90390 ppm1 7.757 ppm2 8.036
ASSI { 15061}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 100  and name HN  ))
     6 6 0 peak 15061 weight  0.1000E+01 volume 12.78010 ppm1 8.036 ppm2 7.808
ASSI { 15071}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 96  and name HB2  ))
     6 6 0 peak 15071 weight  0.1000E+01 volume 7.69160 ppm1 8.035 ppm2 4.013
ASSI { 15081}
  (( segid "PROT" and resid 98  and name HN  ))
  (( segid "PROT" and resid 99  and name HB2  ))
     6 6 0 peak 15081 weight  0.1000E+01 volume 8.68230 ppm1 8.039 ppm2 2.604
ASSI { 15091}
  (( segid "PROT" and resid 36  and name HN  ))
  (( segid "PROT" and resid 37  and name HN  ))
     6 6 0 peak 15091 weight  0.1000E+01 volume 26.41740 ppm1 7.167 ppm2 7.584
ASSI { 15101}
  (( segid "PROT" and resid 36  and name HN  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 15101 weight  0.1000E+01 volume 24.39940 ppm1 7.171 ppm2 7.436
ASSI { 15121}
  (( segid "PROT" and resid 36  and name HH12  ))
  (( segid "PROT" and resid 36  and name HD2  ))
     6 6 0 peak 15121 weight  0.1000E+01 volume 7.82970 ppm1 7.166 ppm2 3.056
ASSI { 15131}
  (( segid "PROT" and resid 36  and name HN  ))
  (( segid "PROT" and resid 35  and name HB2  ))
     6 6 0 peak 15131 weight  0.1000E+01 volume 7.19200 ppm1 7.171 ppm2 2.648
ASSI { 15141}
  (( segid "PROT" and resid 36  and name HH12  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 15141 weight  0.1000E+01 volume 6.91790 ppm1 7.160 ppm2 0.851
ASSI { 15161}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 100  and name HA  ))
     6 6 0 peak 15161 weight  0.1000E+01 volume 6.33960 ppm1 8.552 ppm2 4.351
ASSI { 15171}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 101  and name HN  ))
     6 6 0 peak 15171 weight  0.1000E+01 volume 16.95510 ppm1 8.546 ppm2 9.170
ASSI { 15181}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 89  and name HE1  ))
     6 6 0 peak 15181 weight  0.1000E+01 volume 5.94460 ppm1 8.552 ppm2 8.845
ASSI { 15191}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 100  and name HB1  ))
     6 6 0 peak 15191 weight  0.1000E+01 volume 16.54290 ppm1 8.551 ppm2 1.982
ASSI { 15201}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 100  and name HG1  ))
     6 6 0 peak 15201 weight  0.1000E+01 volume 23.87390 ppm1 8.551 ppm2 1.735
ASSI { 15211}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 100  and name HG2  ))
     6 6 0 peak 15211 weight  0.1000E+01 volume 6.29640 ppm1 8.544 ppm2 1.597
ASSI { 15221}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 98  and name HG2#  ))
     6 6 0 peak 15221 weight  0.1000E+01 volume 12.41180 ppm1 8.548 ppm2 0.600
ASSI { 15241}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 99  and name HA  ))
     6 6 0 peak 15241 weight  0.1000E+01 volume 6.52620 ppm1 8.462 ppm2 3.738
ASSI { 15251}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 101  and name HB1  ))
     6 6 0 peak 15251 weight  0.1000E+01 volume 4.95570 ppm1 8.453 ppm2 3.933
ASSI { 15261}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 15261 weight  0.1000E+01 volume 8.54120 ppm1 8.457 ppm2 7.313
ASSI { 15271}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 106  and name HN  ))
     6 6 0 peak 15271 weight  0.1000E+01 volume 7.63320 ppm1 8.461 ppm2 7.967
ASSI { 15281}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 107  and name HN  ))
     6 6 0 peak 15281 weight  0.1000E+01 volume 4.82740 ppm1 7.796 ppm2 7.479
ASSI { 15291}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 15291 weight  0.1000E+01 volume 17.20760 ppm1 7.793 ppm2 7.031
ASSI { 15301}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 103  and name HB1  ))
     6 6 0 peak 15301 weight  0.1000E+01 volume 13.00260 ppm1 7.797 ppm2 4.140
ASSI { 15311}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 15311 weight  0.1000E+01 volume 9.78940 ppm1 7.793 ppm2 3.626
ASSI { 15331}
  (( segid "PROT" and resid 104  and name HN  ))
  (( segid "PROT" and resid 104  and name HD1  ))
     6 6 0 peak 15331 weight  0.1000E+01 volume 16.95630 ppm1 7.802 ppm2 1.808
ASSI { 15351}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 107  and name HN  ))
     6 6 0 peak 15351 weight  0.1000E+01 volume 4.56420 ppm1 8.010 ppm2 7.491
ASSI { 15361}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 15361 weight  0.1000E+01 volume 4.91650 ppm1 8.014 ppm2 7.282
ASSI { 15371}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 15371 weight  0.1000E+01 volume 8.87160 ppm1 8.012 ppm2 7.041
ASSI { 15381}
  (( segid "PROT" and resid 105  and name HN  ))
  (( segid "PROT" and resid 103  and name HB1  ))
     6 6 0 peak 15381 weight  0.1000E+01 volume 7.06460 ppm1 8.020 ppm2 4.131
ASSI { 15391}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 109  and name HN  ))
     6 6 0 peak 15391 weight  0.1000E+01 volume 5.17520 ppm1 7.956 ppm2 9.073
ASSI { 15401}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 103  and name HN  ))
     6 6 0 peak 15401 weight  0.1000E+01 volume 4.43930 ppm1 7.967 ppm2 8.472
ASSI { 15411}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 104  and name HA  ))
     6 6 0 peak 15411 weight  0.1000E+01 volume 7.39770 ppm1 7.959 ppm2 4.218
ASSI { 15421}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 104  and name HB1  ))
     6 6 0 peak 15421 weight  0.1000E+01 volume 13.54280 ppm1 7.964 ppm2 2.044
ASSI { 15441}
  (( segid "PROT" and resid 106  and name HN  ))
  (( segid "PROT" and resid 105  and name HG  ))
     6 6 0 peak 15441 weight  0.1000E+01 volume 10.55900 ppm1 7.963 ppm2 1.597
ASSI { 15451}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 106  and name HN  ))
     6 6 0 peak 15451 weight  0.1000E+01 volume 43.16300 ppm1 7.794 ppm2 7.958
ASSI { 15461}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 15461 weight  0.1000E+01 volume 9.60620 ppm1 7.799 ppm2 7.031
ASSI { 15471}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 110  and name HN  ))
     6 6 0 peak 15471 weight  0.1000E+01 volume 5.76170 ppm1 7.795 ppm2 8.556
ASSI { 15481}
  (( segid "PROT" and resid 108  and name HN  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 15481 weight  0.1000E+01 volume 8.51400 ppm1 7.793 ppm2 6.061
ASSI { 15491}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 107  and name HG1  ))
     6 6 0 peak 15491 weight  0.1000E+01 volume 9.59450 ppm1 9.082 ppm2 2.483
ASSI { 15501}
  (( segid "PROT" and resid 109  and name HN  ))
  (( segid "PROT" and resid 106  and name HN  ))
     6 6 0 peak 15501 weight  0.1000E+01 volume 7.20410 ppm1 9.081 ppm2 7.971
ASSI { 15511}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 107  and name HN  ))
     6 6 0 peak 15511 weight  0.1000E+01 volume 9.39330 ppm1 8.554 ppm2 7.484
ASSI { 15521}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 108  and name HN  ))
     6 6 0 peak 15521 weight  0.1000E+01 volume 8.98610 ppm1 8.560 ppm2 7.751
ASSI { 15531}
  (( segid "PROT" and resid 110  and name HN  ))
  (( segid "PROT" and resid 112  and name HN  ))
     6 6 0 peak 15531 weight  0.1000E+01 volume 10.39460 ppm1 8.557 ppm2 7.951
ASSI { 15541}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 110  and name HN  ))
     6 6 0 peak 15541 weight  0.1000E+01 volume 8.49180 ppm1 7.932 ppm2 8.546
ASSI { 15551}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 15551 weight  0.1000E+01 volume 13.32120 ppm1 7.928 ppm2 1.315
ASSI { 15561}
  (( segid "PROT" and resid 113  and name HN  ))
  (( segid "PROT" and resid 114  and name HB1  ))
     6 6 0 peak 15561 weight  0.1000E+01 volume 2.36420 ppm1 8.828 ppm2 2.847
ASSI { 15571}
  (( segid "PROT" and resid 113  and name HN  ))
  (( segid "PROT" and resid 111  and name HN  ))
     6 6 0 peak 15571 weight  0.1000E+01 volume 7.46720 ppm1 8.832 ppm2 7.336
ASSI { 15591}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 113  and name HG11  ))
     6 6 0 peak 15591 weight  0.1000E+01 volume 6.09090 ppm1 6.978 ppm2 1.230
ASSI { 15601}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 112  and name HN  ))
     6 6 0 peak 15601 weight  0.1000E+01 volume 6.01640 ppm1 6.977 ppm2 7.938
ASSI { 15611}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 119  and name HN  ))
     6 6 0 peak 15611 weight  0.1000E+01 volume 6.69130 ppm1 6.564 ppm2 7.619
ASSI { 15621}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 116  and name HA  ))
     6 6 0 peak 15621 weight  0.1000E+01 volume 32.13340 ppm1 8.459 ppm2 3.712
ASSI { 15631}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 119  and name HN  ))
     6 6 0 peak 15631 weight  0.1000E+01 volume 15.20100 ppm1 8.459 ppm2 7.610
ASSI { 15641}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 118  and name HN  ))
     6 6 0 peak 15641 weight  0.1000E+01 volume 31.29870 ppm1 8.459 ppm2 8.022
ASSI { 15651}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 119  and name HA  ))
     6 6 0 peak 15651 weight  0.1000E+01 volume 8.96120 ppm1 8.034 ppm2 4.436
ASSI { 15661}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 116  and name HA  ))
     6 6 0 peak 15661 weight  0.1000E+01 volume 13.37010 ppm1 8.029 ppm2 3.704
ASSI { 15671}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 15671 weight  0.1000E+01 volume 7.64940 ppm1 8.027 ppm2 1.551
ASSI { 15681}
  (( segid "PROT" and resid 121  and name HN  ))
  (( segid "PROT" and resid 117  and name HA  ))
     6 6 0 peak 15681 weight  0.1000E+01 volume 57.93110 ppm1 7.602 ppm2 4.316
ASSI { 15691}
  (( segid "PROT" and resid 121  and name HN  ))
  (( segid "PROT" and resid 118  and name HA  ))
     6 6 0 peak 15691 weight  0.1000E+01 volume 84.90570 ppm1 7.603 ppm2 4.108
ASSI { 15701}
  (( segid "PROT" and resid 120  and name HN  ))
  (( segid "PROT" and resid 116  and name HA  ))
     6 6 0 peak 15701 weight  0.1000E+01 volume 7.98220 ppm1 7.594 ppm2 3.713
ASSI { 15711}
  (( segid "PROT" and resid 120  and name HN  ))
  (( segid "PROT" and resid 118  and name HB2  ))
     6 6 0 peak 15711 weight  0.1000E+01 volume 22.90480 ppm1 7.593 ppm2 2.051
ASSI { 15721}
  (( segid "PROT" and resid 120  and name HN  ))
  (( segid "PROT" and resid 118  and name HN  ))
     6 6 0 peak 15721 weight  0.1000E+01 volume 33.33150 ppm1 7.599 ppm2 8.039
ASSI { 15731}
  (( segid "PROT" and resid 89  and name HN  ))
  (( segid "PROT" and resid 89  and name HD1  ))
     6 6 0 peak 15731 weight  0.1000E+01 volume 4.17590 ppm1 8.665 ppm2 7.106
ASSI { 15741}
  (( segid "PROT" and resid 61  and name HN  ))
  (( segid "PROT" and resid 62  and name HN  ))
     6 6 0 peak 15741 weight  0.1000E+01 volume 10.53430 ppm1 7.287 ppm2 7.531
ASSI { 15751}
  (( segid "PROT" and resid 61  and name HN  ))
  (( segid "PROT" and resid 64  and name HN  ))
     6 6 0 peak 15751 weight  0.1000E+01 volume 4.61310 ppm1 7.288 ppm2 7.810
ASSI { 15761}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 61  and name HN  ))
     6 6 0 peak 15761 weight  0.1000E+01 volume 6.04290 ppm1 8.784 ppm2 7.280
ASSI { 15771}
  (( segid "PROT" and resid 100  and name HN  ))
  (( segid "PROT" and resid 101  and name HN  ))
     6 6 0 peak 15771 weight  0.1000E+01 volume 13.85870 ppm1 7.761 ppm2 9.168
ASSI { 15781}
  (( segid "PROT" and resid 43  and name HN  ))
  (( segid "PROT" and resid 43  and name HD1#  ))
     6 6 0 peak 15781 weight  0.1000E+01 volume 49.99520 ppm1 7.414 ppm2 0.843
ASSI { 15791}
  (( segid "PROT" and resid 120  and name HN  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 15791 weight  0.1000E+01 volume 14.60090 ppm1 7.600 ppm2 1.377
ASSI { 15801}
  (( segid "PROT" and resid 19  and name HN  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 15801 weight  0.1000E+01 volume 6.73080 ppm1 8.681 ppm2 1.083
ASSI { 15821}
  (( segid "PROT" and resid 39  and name HN  ))
  (( segid "PROT" and resid 49  and name HD1  ))
     6 6 0 peak 15821 weight  0.1000E+01 volume 3.50450 ppm1 8.449 ppm2 5.577
ASSI { 15831}
  (( segid "PROT" and resid 16  and name HN  ))
  (( segid "PROT" and resid 16  and name HG2  ))
     6 6 0 peak 15831 weight  0.1000E+01 volume 14.29870 ppm1 7.786 ppm2 2.400
ASSI { 15841}
  (( segid "PROT" and resid 63  and name HN  ))
  (( segid "PROT" and resid 63  and name HD1  ))
     6 6 0 peak 15841 weight  0.1000E+01 volume 40.37140 ppm1 8.775 ppm2 1.540
ASSI { 15851}
  (( segid "PROT" and resid 6  and name HN  ))
  (( segid "PROT" and resid 6  and name HG2  ))
     6 6 0 peak 15851 weight  0.1000E+01 volume 34.05560 ppm1 8.431 ppm2 1.320
ASSI { 15861}
  (( segid "PROT" and resid 7  and name HN  ))
  (( segid "PROT" and resid 6  and name HG1  ))
     6 6 0 peak 15861 weight  0.1000E+01 volume 9.22990 ppm1 8.287 ppm2 1.401
ASSI { 15871}
  (( segid "PROT" and resid 7  and name HN  ))
  (( segid "PROT" and resid 7  and name HG2  ))
     6 6 0 peak 15871 weight  0.1000E+01 volume 16.90720 ppm1 8.285 ppm2 0.967
ASSI { 15891}
  (( segid "PROT" and resid 31  and name HN  ))
  (( segid "PROT" and resid 101  and name HB2  ))
     6 6 0 peak 15891 weight  0.1000E+01 volume 11.89120 ppm1 9.474 ppm2 3.624
ASSI { 15901}
  (( segid "PROT" and resid 90  and name HN  ))
  (( segid "PROT" and resid 87  and name HN  ))
     6 6 0 peak 15901 weight  0.1000E+01 volume 2.87540 ppm1 8.119 ppm2 8.918
ASSI { 15911}
  (( segid "PROT" and resid 72  and name HE21  ))
  (( segid "PROT" and resid 72  and name HG1  ))
     6 6 0 peak 15911 weight  0.1000E+01 volume 66.18950 ppm1 7.596 ppm2 2.458
ASSI { 15921}
  (( segid "PROT" and resid 93  and name HN  ))
  (( segid "PROT" and resid 91  and name HA  ))
     6 6 0 peak 15921 weight  0.1000E+01 volume 15.53170 ppm1 8.801 ppm2 4.021
ASSI { 15931}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 89  and name HD1  ))
     6 6 0 peak 15931 weight  0.1000E+01 volume 5.80070 ppm1 8.457 ppm2 4.980
ASSI { 15941}
  (( segid "PROT" and resid 102  and name HN  ))
  (( segid "PROT" and resid 99  and name HA  ))
     6 6 0 peak 15941 weight  0.1000E+01 volume 18.27280 ppm1 8.545 ppm2 3.736
ASSI { 15951}
  (( segid "PROT" and resid 103  and name HN  ))
  (( segid "PROT" and resid 100  and name HG1  ))
     6 6 0 peak 15951 weight  0.1000E+01 volume 7.47050 ppm1 8.459 ppm2 1.735
ASSI { 15961}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 15961 weight  0.1000E+01 volume 5.46660 ppm1 8.027 ppm2 0.998
ASSI { 15971}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 37  and name HN  ))
     6 6 0 peak 15971 weight  0.1000E+01 volume 8.15170 ppm1 8.024 ppm2 7.586
ASSI { 15981}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 15981 weight  0.1000E+01 volume 29.60610 ppm1 8.031 ppm2 7.313
ASSI { 15991}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 35  and name HA  ))
     6 6 0 peak 15991 weight  0.1000E+01 volume 38.43610 ppm1 8.028 ppm2 4.813
ASSI { 16001}
  (( segid "PROT" and resid 45  and name HN  ))
  (( segid "PROT" and resid 47  and name HD2  ))
     6 6 0 peak 16001 weight  0.1000E+01 volume 9.17400 ppm1 7.389 ppm2 3.330
ASSI { 16011}
  (( segid "PROT" and resid 55  and name HD21  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 16011 weight  0.1000E+01 volume 4.67080 ppm1 6.899 ppm2 5.252
ASSI { 16021}
  (( segid "PROT" and resid 36  and name HE  ))
  (( segid "PROT" and resid 35  and name HN  ))
     6 6 0 peak 16021 weight  0.1000E+01 volume 7.39070 ppm1 6.439 ppm2 8.027
ASSI { 16031}
  (( segid "PROT" and resid 36  and name HE  ))
  (( segid "PROT" and resid 36  and name HD1  ))
     6 6 0 peak 16031 weight  0.1000E+01 volume 10.63910 ppm1 6.442 ppm2 3.235
ASSI { 16041}
  (( segid "PROT" and resid 36  and name HE  ))
  (( segid "PROT" and resid 36  and name HD2  ))
     6 6 0 peak 16041 weight  0.1000E+01 volume 9.04790 ppm1 6.440 ppm2 3.081
ASSI { 16071}
  (( segid "PROT" and resid 5  and name HN  ))
  (( segid "PROT" and resid 5  and name HD1  ))
     6 6 0 peak 16071 weight  0.1000E+01 volume 4.30210 ppm1 8.471 ppm2 3.164
ASSI { 16081}
  (( segid "PROT" and resid 14  and name HN  ))
  (( segid "PROT" and resid 8  and name HG2#  ))
     6 6 0 peak 16081 weight  0.1000E+01 volume 2.56540 ppm1 7.854 ppm2 0.851
ASSI { 16111}
  (( segid "PROT" and resid 35  and name HN  ))
  (( segid "PROT" and resid 59  and name HB1  ))
     6 6 0 peak 16111 weight  0.1000E+01 volume 12.50200 ppm1 8.022 ppm2 1.707
ASSI { 16121}
  (( segid "PROT" and resid 36  and name HE  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 16121 weight  0.1000E+01 volume 5.48950 ppm1 6.439 ppm2 0.986
ASSI { 16131}
  (( segid "PROT" and resid 36  and name HE  ))
  (( segid "PROT" and resid 36  and name HB2  ))
     6 6 0 peak 16131 weight  0.1000E+01 volume 6.82210 ppm1 6.445 ppm2 1.910
ASSI { 16141}
  (( segid "PROT" and resid 43  and name HN  ))
  (( segid "PROT" and resid 40  and name HA  ))
     6 6 0 peak 16141 weight  0.1000E+01 volume 3.74530 ppm1 7.414 ppm2 5.035
ASSI { 16151}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 16151 weight  0.1000E+01 volume 3.73320 ppm1 7.990 ppm2 6.336
ASSI { 16161}
  (( segid "PROT" and resid 49  and name HN  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 16161 weight  0.1000E+01 volume 2.57990 ppm1 8.001 ppm2 7.425
ASSI { 16171}
  (( segid "PROT" and resid 52  and name HN  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 16171 weight  0.1000E+01 volume 3.50440 ppm1 7.184 ppm2 6.814
ASSI { 16181}
  (( segid "PROT" and resid 55  and name HN  ))
  (( segid "PROT" and resid 56  and name HG1  ))
     6 6 0 peak 16181 weight  0.1000E+01 volume 6.31630 ppm1 8.580 ppm2 2.163
ASSI { 16191}
  (( segid "PROT" and resid 55  and name HD21  ))
  (( segid "PROT" and resid 54  and name HG1  ))
     6 6 0 peak 16191 weight  0.1000E+01 volume 4.83700 ppm1 6.901 ppm2 1.434
ASSI { 16201}
  (( segid "PROT" and resid 55  and name HD21  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 16201 weight  0.1000E+01 volume 5.47300 ppm1 6.899 ppm2 1.113
ASSI { 16211}
  (( segid "PROT" and resid 55  and name HD21  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 16211 weight  0.1000E+01 volume 5.29510 ppm1 6.902 ppm2 0.903
ASSI { 16221}
  (( segid "PROT" and resid 55  and name HD22  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 16221 weight  0.1000E+01 volume 8.54340 ppm1 7.605 ppm2 0.898
ASSI { 16231}
  (( segid "PROT" and resid 55  and name HD22  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 16231 weight  0.1000E+01 volume 10.40210 ppm1 7.608 ppm2 1.122
ASSI { 16241}
  (( segid "PROT" and resid 55  and name HD21  ))
  (( segid "PROT" and resid 55  and name HN  ))
     6 6 0 peak 16241 weight  0.1000E+01 volume 6.84990 ppm1 6.897 ppm2 8.585
ASSI { 16251}
  (( segid "PROT" and resid 59  and name HN  ))
  (( segid "PROT" and resid 60  and name HN  ))
     6 6 0 peak 16251 weight  0.1000E+01 volume 5.96760 ppm1 8.799 ppm2 8.237
ASSI { 16261}
  (( segid "PROT" and resid 58  and name HN  ))
  (( segid "PROT" and resid 59  and name HB1  ))
     6 6 0 peak 16261 weight  0.1000E+01 volume 12.73590 ppm1 7.277 ppm2 1.711
ASSI { 16281}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 64  and name HB1  ))
     6 6 0 peak 16281 weight  0.1000E+01 volume 175.80600 ppm1 8.473 ppm2 1.960
ASSI { 16291}
  (( segid "PROT" and resid 65  and name HN  ))
  (( segid "PROT" and resid 67  and name HN  ))
     6 6 0 peak 16291 weight  0.1000E+01 volume 1.49590 ppm1 8.468 ppm2 9.144
ASSI { 16301}
  (( segid "PROT" and resid 67  and name HN  ))
  (( segid "PROT" and resid 69  and name HN  ))
     6 6 0 peak 16301 weight  0.1000E+01 volume 3.60030 ppm1 9.131 ppm2 7.416
ASSI { 16311}
  (( segid "PROT" and resid 70  and name HE22  ))
  (( segid "PROT" and resid 68  and name HB  ))
     6 6 0 peak 16311 weight  0.1000E+01 volume 20.30990 ppm1 6.813 ppm2 4.530
ASSI { 16321}
  (( segid "PROT" and resid 70  and name HE22  ))
  (( segid "PROT" and resid 70  and name HA  ))
     6 6 0 peak 16321 weight  0.1000E+01 volume 7.82340 ppm1 6.816 ppm2 3.983
ASSI { 16331}
  (( segid "PROT" and resid 70  and name HE21  ))
  (( segid "PROT" and resid 70  and name HA  ))
     6 6 0 peak 16331 weight  0.1000E+01 volume 14.89140 ppm1 7.305 ppm2 3.989
ASSI { 16341}
  (( segid "PROT" and resid 70  and name HE21  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 16341 weight  0.1000E+01 volume 7.02750 ppm1 7.303 ppm2 3.420
ASSI { 16351}
  (( segid "PROT" and resid 70  and name HE22  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 16351 weight  0.1000E+01 volume 8.79720 ppm1 6.811 ppm2 3.419
ASSI { 16361}
  (( segid "PROT" and resid 70  and name HE21  ))
  (( segid "PROT" and resid 70  and name HB1  ))
     6 6 0 peak 16361 weight  0.1000E+01 volume 13.18420 ppm1 7.304 ppm2 2.002
ASSI { 16371}
  (( segid "PROT" and resid 70  and name HE22  ))
  (( segid "PROT" and resid 70  and name HB1  ))
     6 6 0 peak 16371 weight  0.1000E+01 volume 11.95950 ppm1 6.815 ppm2 2.001
ASSI { 16381}
  (( segid "PROT" and resid 70  and name HE22  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 16381 weight  0.1000E+01 volume 9.15820 ppm1 6.812 ppm2 1.237
ASSI { 16391}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 16391 weight  0.1000E+01 volume 14.48970 ppm1 7.486 ppm2 3.641
ASSI { 16401}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 106  and name HA  ))
     6 6 0 peak 16401 weight  0.1000E+01 volume 26.50130 ppm1 7.489 ppm2 3.400
ASSI { 16411}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 113  and name HN  ))
     6 6 0 peak 16411 weight  0.1000E+01 volume 10.18110 ppm1 7.328 ppm2 8.839
ASSI { 16421}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 109  and name HN  ))
     6 6 0 peak 16421 weight  0.1000E+01 volume 5.06700 ppm1 7.335 ppm2 9.072
ASSI { 16431}
  (( segid "PROT" and resid 66  and name HN  ))
  (( segid "PROT" and resid 64  and name HA  ))
     6 6 0 peak 16431 weight  0.1000E+01 volume 7.05890 ppm1 8.581 ppm2 4.192
ASSI { 16441}
  (( segid "PROT" and resid 68  and name HN  ))
  (( segid "PROT" and resid 66  and name HB2  ))
     6 6 0 peak 16441 weight  0.1000E+01 volume 9.12650 ppm1 7.747 ppm2 1.719
ASSI { 16451}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 16451 weight  0.1000E+01 volume 8.24230 ppm1 8.437 ppm2 6.731
ASSI { 16461}
  (( segid "PROT" and resid 79  and name HN  ))
  (( segid "PROT" and resid 77  and name HN  ))
     6 6 0 peak 16461 weight  0.1000E+01 volume 4.28280 ppm1 8.425 ppm2 6.278
ASSI { 16471}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 16471 weight  0.1000E+01 volume 8.76130 ppm1 7.166 ppm2 6.736
ASSI { 16481}
  (( segid "PROT" and resid 80  and name HN  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 16481 weight  0.1000E+01 volume 1.73220 ppm1 7.175 ppm2 1.286
ASSI { 16491}
  (( segid "PROT" and resid 83  and name HN  ))
  (( segid "PROT" and resid 85  and name HN  ))
     6 6 0 peak 16491 weight  0.1000E+01 volume 10.30380 ppm1 8.064 ppm2 7.477
ASSI { 16501}
  (( segid "PROT" and resid 84  and name HN  ))
  (( segid "PROT" and resid 83  and name HA  ))
     6 6 0 peak 16501 weight  0.1000E+01 volume 12.05220 ppm1 7.324 ppm2 4.214
ASSI { 16511}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 82  and name HB1  ))
     6 6 0 peak 16511 weight  0.1000E+01 volume 5.07540 ppm1 7.482 ppm2 3.339
ASSI { 16521}
  (( segid "PROT" and resid 84  and name HN  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 16521 weight  0.1000E+01 volume 41.87990 ppm1 7.323 ppm2 0.906
ASSI { 16531}
  (( segid "PROT" and resid 86  and name HD21  ))
  (( segid "PROT" and resid 86  and name HD22  ))
     6 6 0 peak 16531 weight  0.1000E+01 volume 77.20210 ppm1 7.791 ppm2 7.213
ASSI { 16541}
  (( segid "PROT" and resid 86  and name HD22  ))
  (( segid "PROT" and resid 83  and name HA  ))
     6 6 0 peak 16541 weight  0.1000E+01 volume 5.02090 ppm1 7.208 ppm2 4.242
ASSI { 16551}
  (( segid "PROT" and resid 86  and name HD21  ))
  (( segid "PROT" and resid 83  and name HA  ))
     6 6 0 peak 16551 weight  0.1000E+01 volume 2.59400 ppm1 7.802 ppm2 4.250
ASSI { 16561}
  (( segid "PROT" and resid 86  and name HD22  ))
  (( segid "PROT" and resid 89  and name HB1  ))
     6 6 0 peak 16561 weight  0.1000E+01 volume 5.15770 ppm1 7.213 ppm2 3.330
ASSI { 16571}
  (( segid "PROT" and resid 86  and name HD21  ))
  (( segid "PROT" and resid 89  and name HB1  ))
     6 6 0 peak 16571 weight  0.1000E+01 volume 4.18210 ppm1 7.796 ppm2 3.326
ASSI { 16581}
  (( segid "PROT" and resid 86  and name HD21  ))
  (( segid "PROT" and resid 86  and name HB2  ))
     6 6 0 peak 16581 weight  0.1000E+01 volume 11.55370 ppm1 7.797 ppm2 2.916
ASSI { 16591}
  (( segid "PROT" and resid 86  and name HD22  ))
  (( segid "PROT" and resid 86  and name HB2  ))
     6 6 0 peak 16591 weight  0.1000E+01 volume 9.05370 ppm1 7.212 ppm2 2.920
ASSI { 16601}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 86  and name HN  ))
     6 6 0 peak 16601 weight  0.1000E+01 volume 2.17850 ppm1 7.304 ppm2 9.609
ASSI { 16611}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 90  and name HN  ))
     6 6 0 peak 16611 weight  0.1000E+01 volume 15.28900 ppm1 7.317 ppm2 8.087
ASSI { 16621}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 86  and name HD21  ))
     6 6 0 peak 16621 weight  0.1000E+01 volume 3.79860 ppm1 8.925 ppm2 7.800
ASSI { 16631}
  (( segid "PROT" and resid 42  and name HE22  ))
  (( segid "PROT" and resid 42  and name HG1  ))
     6 6 0 peak 16631 weight  0.1000E+01 volume 11.08500 ppm1 6.874 ppm2 2.363
ASSI { 16641}
  (( segid "PROT" and resid 42  and name HE21  ))
  (( segid "PROT" and resid 42  and name HG1  ))
     6 6 0 peak 16641 weight  0.1000E+01 volume 15.48270 ppm1 7.654 ppm2 2.367
ASSI { 16651}
  (( segid "PROT" and resid 87  and name HN  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 16651 weight  0.1000E+01 volume 2.26410 ppm1 8.915 ppm2 6.066
ASSI { 16661}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 87  and name HA  ))
     6 6 0 peak 16661 weight  0.1000E+01 volume 2.37270 ppm1 9.597 ppm2 4.499
ASSI { 16671}
  (( segid "PROT" and resid 86  and name HN  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 16671 weight  0.1000E+01 volume 5.30920 ppm1 9.599 ppm2 1.708
ASSI { 16681}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 90  and name HD1#  ))
     6 6 0 peak 16681 weight  0.1000E+01 volume 7.90540 ppm1 7.316 ppm2 1.038
ASSI { 16691}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 107  and name HG1  ))
     6 6 0 peak 16691 weight  0.1000E+01 volume 56.00420 ppm1 7.488 ppm2 2.507
ASSI { 16701}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 110  and name HG1  ))
     6 6 0 peak 16701 weight  0.1000E+01 volume 4.12310 ppm1 7.488 ppm2 2.843
ASSI { 16711}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 109  and name HB2  ))
     6 6 0 peak 16711 weight  0.1000E+01 volume 5.20590 ppm1 7.487 ppm2 3.070
ASSI { 16721}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 85  and name HA  ))
     6 6 0 peak 16721 weight  0.1000E+01 volume 44.55150 ppm1 7.482 ppm2 4.207
ASSI { 16731}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 103  and name HA  ))
     6 6 0 peak 16731 weight  0.1000E+01 volume 6.09170 ppm1 7.482 ppm2 4.459
ASSI { 16741}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 16741 weight  0.1000E+01 volume 17.76230 ppm1 7.487 ppm2 6.059
ASSI { 16751}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 82  and name HN  ))
     6 6 0 peak 16751 weight  0.1000E+01 volume 9.04290 ppm1 7.485 ppm2 7.955
ASSI { 16761}
  (( segid "PROT" and resid 85  and name HN  ))
  (( segid "PROT" and resid 87  and name HN  ))
     6 6 0 peak 16761 weight  0.1000E+01 volume 4.60320 ppm1 7.477 ppm2 8.922
ASSI { 16771}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 109  and name HN  ))
     6 6 0 peak 16771 weight  0.1000E+01 volume 11.43080 ppm1 7.490 ppm2 9.088
ASSI { 16781}
  (( segid "PROT" and resid 107  and name HN  ))
  (( segid "PROT" and resid 110  and name HN  ))
     6 6 0 peak 16781 weight  0.1000E+01 volume 5.84830 ppm1 7.481 ppm2 8.570
ASSI { 16791}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 109  and name HB1  ))
     6 6 0 peak 16791 weight  0.1000E+01 volume 2.76580 ppm1 7.337 ppm2 3.345
ASSI { 16801}
  (( segid "PROT" and resid 111  and name HN  ))
  (( segid "PROT" and resid 112  and name HB2  ))
     6 6 0 peak 16801 weight  0.1000E+01 volume 10.18980 ppm1 7.332 ppm2 1.773
ASSI { 16811}
  (( segid "PROT" and resid 114  and name HN  ))
  (( segid "PROT" and resid 111  and name HB2  ))
     6 6 0 peak 16811 weight  0.1000E+01 volume 5.08210 ppm1 6.975 ppm2 2.199
ASSI { 16821}
  (( segid "PROT" and resid 112  and name HN  ))
  (( segid "PROT" and resid 110  and name HG1  ))
     6 6 0 peak 16821 weight  0.1000E+01 volume 5.83910 ppm1 7.925 ppm2 2.861
ASSI { 16831}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 114  and name HB2  ))
     6 6 0 peak 16831 weight  0.1000E+01 volume 14.17820 ppm1 6.565 ppm2 2.686
ASSI { 16841}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 114  and name HB1  ))
     6 6 0 peak 16841 weight  0.1000E+01 volume 9.84930 ppm1 6.554 ppm2 2.855
ASSI { 16861}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 16861 weight  0.1000E+01 volume 37.53150 ppm1 8.461 ppm2 0.772
ASSI { 16871}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 116  and name HG1#  ))
     6 6 0 peak 16871 weight  0.1000E+01 volume 6.47690 ppm1 8.022 ppm2 1.059
ASSI { 16881}
  (( segid "PROT" and resid 118  and name HN  ))
  (( segid "PROT" and resid 113  and name HG11  ))
     6 6 0 peak 16881 weight  0.1000E+01 volume 8.37020 ppm1 8.019 ppm2 1.266
ASSI { 16891}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 16891 weight  0.1000E+01 volume 44.50980 ppm1 8.450 ppm2 0.907
ASSI { 16901}
  (( segid "PROT" and resid 116  and name HN  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 16901 weight  0.1000E+01 volume 43.44780 ppm1 6.560 ppm2 0.905
ASSI { 16911}
  (( segid "PROT" and resid 119  and name HN  ))
  (( segid "PROT" and resid 116  and name HN  ))
     6 6 0 peak 16911 weight  0.1000E+01 volume 8.77900 ppm1 7.612 ppm2 6.569
ASSI { 16921}
  (( segid "PROT" and resid 121  and name HN  ))
  (( segid "PROT" and resid 118  and name HN  ))
     6 6 0 peak 16921 weight  0.1000E+01 volume 47.18530 ppm1 7.607 ppm2 8.017
ASSI { 16931}
  (( segid "PROT" and resid 121  and name HN  ))
  (( segid "PROT" and resid 117  and name HN  ))
     6 6 0 peak 16931 weight  0.1000E+01 volume 16.69810 ppm1 7.608 ppm2 8.445
ASSI { 16941}
  (( segid "PROT" and resid 121  and name HN  ))
  (( segid "PROT" and resid 118  and name HB2  ))
     6 6 0 peak 16941 weight  0.1000E+01 volume 35.95340 ppm1 7.603 ppm2 2.057
ASSI { 16961}
  (( segid "PROT" and resid 64  and name HN  ))
  (( segid "PROT" and resid 64  and name HG1  ))
     6 6 0 peak 16961 weight  0.1000E+01 volume 67.41820 ppm1 7.810 ppm2 1.691
ASSI { 16971}
  (( segid "PROT" and resid 57  and name HN  ))
  (( segid "PROT" and resid 57  and name HA  ))
     6 6 0 peak 16971 weight  0.1000E+01 volume 14.15720 ppm1 8.424 ppm2 5.067
ASSI { 16981}
  (( segid "PROT" and resid 57  and name HN  ))
  (( segid "PROT" and resid 56  and name HA  ))
     6 6 0 peak 16981 weight  0.1000E+01 volume 62.40770 ppm1 8.430 ppm2 4.092
ASSI { 16991}
  (( segid "PROT" and resid 57  and name HN  ))
  (( segid "PROT" and resid 58  and name HN  ))
     6 6 0 peak 16991 weight  0.1000E+01 volume 4.68300 ppm1 8.425 ppm2 7.292
ASSI { 17011}
  (( segid "PROT" and resid 57  and name HN  ))
  (( segid "PROT" and resid 62  and name HN  ))
     6 6 0 peak 17011 weight  0.1000E+01 volume 5.07860 ppm1 8.431 ppm2 7.537
ASSI { 17021}
  (( segid "PROT" and resid 57  and name HN  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 17021 weight  0.1000E+01 volume 22.12340 ppm1 8.427 ppm2 0.590
ASSI { 17031}
  (( segid "PROT" and resid 57  and name HN  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 17031 weight  0.1000E+01 volume 16.45850 ppm1 8.423 ppm2 1.129
ASSI { 17041}
  (( segid "PROT" and resid 57  and name HN  ))
  (( segid "PROT" and resid 57  and name HB2  ))
     6 6 0 peak 17041 weight  0.1000E+01 volume 18.97780 ppm1 8.432 ppm2 1.262
ASSI { 17051}
  (( segid "PROT" and resid 57  and name HN  ))
  (( segid "PROT" and resid 57  and name HB1  ))
     6 6 0 peak 17051 weight  0.1000E+01 volume 16.05930 ppm1 8.429 ppm2 2.165
ASSI { 17061}
  (( segid "PROT" and resid 57  and name HN  ))
  (( segid "PROT" and resid 56  and name HB1  ))
     6 6 0 peak 17061 weight  0.1000E+01 volume 12.68550 ppm1 8.436 ppm2 2.467
ASSI { 17071}
  (( segid "PROT" and resid 57  and name HN  ))
  (( segid "PROT" and resid 56  and name HD1  ))
     6 6 0 peak 17071 weight  0.1000E+01 volume 5.99210 ppm1 8.430 ppm2 3.693
ASSI { 17081}
  (( segid "PROT" and resid 57  and name HN  ))
  (( segid "PROT" and resid 57  and name HE#  ))
     6 6 0 peak 17081 weight  0.1000E+01 volume 36.82730 ppm1 8.427 ppm2 2.017
ASSI { 17091}
  (( segid "PROT" and resid 59  and name HN  ))
  (( segid "PROT" and resid 58  and name HA  ))
     6 6 0 peak 17091 weight  0.1000E+01 volume 22.05210 ppm1 8.818 ppm2 4.832
ASSI { 17101}
  (( segid "PROT" and resid 84  and name HN  ))
  (( segid "PROT" and resid 84  and name HB1  ))
     6 6 0 peak 17101 weight  0.1000E+01 volume 23.10660 ppm1 7.324 ppm2 2.229
ASSI { 17111}
  (( segid "PROT" and resid 117  and name HN  ))
  (( segid "PROT" and resid 117  and name HG1  ))
     6 6 0 peak 17111 weight  0.1000E+01 volume 43.05490 ppm1 8.456 ppm2 2.651
ASSI { 17121}
  (( segid "PROT" and resid 84  and name HN  ))
  (( segid "PROT" and resid 84  and name HG1  ))
     6 6 0 peak 17121 weight  0.1000E+01 volume 10.06730 ppm1 7.316 ppm2 2.663
ASSI { 17131}
  (( segid "PROT" and resid 37  and name HE22  ))
  (( segid "PROT" and resid 37  and name HG2  ))
     6 6 0 peak 17131 weight  0.1000E+01 volume 39.11330 ppm1 6.838 ppm2 2.109
ASSI { 17141}
  (( segid "PROT" and resid 37  and name HE22  ))
  (( segid "PROT" and resid 37  and name HG1  ))
     6 6 0 peak 17141 weight  0.1000E+01 volume 29.70370 ppm1 6.835 ppm2 2.240
ASSI { 17151}
  (( segid "PROT" and resid 37  and name HE21  ))
  (( segid "PROT" and resid 37  and name HB2  ))
     6 6 0 peak 17151 weight  0.1000E+01 volume 7.67850 ppm1 7.420 ppm2 1.791
ASSI { 17161}
  (( segid "PROT" and resid 37  and name HE21  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 17161 weight  0.1000E+01 volume 3.25660 ppm1 7.424 ppm2 3.917
ASSI { 17171}
  (( segid "PROT" and resid 37  and name HE22  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 17171 weight  0.1000E+01 volume 4.90000 ppm1 6.834 ppm2 3.935
ASSI { 17191}
  (( segid "PROT" and resid 16  and name HE21  ))
  (( segid "PROT" and resid 16  and name HB2  ))
     6 6 0 peak 17191 weight  0.1000E+01 volume 24.92190 ppm1 7.584 ppm2 2.060
ASSI { 17201}
  (( segid "PROT" and resid 16  and name HE21  ))
  (( segid "PROT" and resid 13  and name HA  ))
     6 6 0 peak 17201 weight  0.1000E+01 volume 27.07730 ppm1 7.591 ppm2 4.141
ASSI { 17211}
  (( segid "PROT" and resid 16  and name HE22  ))
  (( segid "PROT" and resid 13  and name HA  ))
     6 6 0 peak 17211 weight  0.1000E+01 volume 17.35540 ppm1 6.832 ppm2 4.165
ASSI { 17221}
  (( segid "PROT" and resid 16  and name HE21  ))
  (( segid "PROT" and resid 16  and name HA  ))
     6 6 0 peak 17221 weight  0.1000E+01 volume 4.41430 ppm1 7.581 ppm2 3.932
ASSI { 17231}
  (( segid "PROT" and resid 16  and name HE22  ))
  (( segid "PROT" and resid 16  and name HA  ))
     6 6 0 peak 17231 weight  0.1000E+01 volume 5.04770 ppm1 6.835 ppm2 3.934
ASSI { 17241}
  (( segid "PROT" and resid 42  and name HE21  ))
  (( segid "PROT" and resid 42  and name HA  ))
     6 6 0 peak 17241 weight  0.1000E+01 volume 6.44540 ppm1 7.656 ppm2 4.033
ASSI { 17251}
  (( segid "PROT" and resid 72  and name HE22  ))
  (( segid "PROT" and resid 72  and name HA  ))
     6 6 0 peak 17251 weight  0.1000E+01 volume 8.62290 ppm1 6.765 ppm2 4.290
ASSI { 17261}
  (( segid "PROT" and resid 118  and name HE22  ))
  (( segid "PROT" and resid 118  and name HA  ))
     6 6 0 peak 17261 weight  0.1000E+01 volume 11.31360 ppm1 6.785 ppm2 4.132
ASSI { 17271}
  (( segid "PROT" and resid 118  and name HE22  ))
  (( segid "PROT" and resid 114  and name HA  ))
     6 6 0 peak 17271 weight  0.1000E+01 volume 6.25590 ppm1 6.782 ppm2 4.536
ASSI { 17281}
  (( segid "PROT" and resid 72  and name HE22  ))
  (( segid "PROT" and resid 72  and name HG1  ))
     6 6 0 peak 17281 weight  0.1000E+01 volume 49.81670 ppm1 6.763 ppm2 2.446
ASSI { 17291}
  (( segid "PROT" and resid 72  and name HE21  ))
  (( segid "PROT" and resid 72  and name HB1  ))
     6 6 0 peak 17291 weight  0.1000E+01 volume 36.50520 ppm1 7.595 ppm2 2.214
ASSI { 17301}
  (( segid "PROT" and resid 72  and name HE22  ))
  (( segid "PROT" and resid 72  and name HB1  ))
     6 6 0 peak 17301 weight  0.1000E+01 volume 16.05220 ppm1 6.759 ppm2 2.248
ASSI { 17321}
  (( segid "PROT" and resid 28  and name HE21  ))
  (( segid "PROT" and resid 28  and name HE22  ))
     6 6 0 peak 17321 weight  0.1000E+01 volume 113.43840 ppm1 7.948 ppm2 6.992
ASSI { 17331}
  (( segid "PROT" and resid 28  and name HE22  ))
  (( segid "PROT" and resid 28  and name HA  ))
     6 6 0 peak 17331 weight  0.1000E+01 volume 7.94420 ppm1 6.997 ppm2 4.112
ASSI { 17341}
  (( segid "PROT" and resid 28  and name HE21  ))
  (( segid "PROT" and resid 28  and name HB1  ))
     6 6 0 peak 17341 weight  0.1000E+01 volume 28.43430 ppm1 7.939 ppm2 2.080
ASSI { 17351}
  (( segid "PROT" and resid 15  and name HE  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 17351 weight  0.1000E+01 volume 5.78140 ppm1 7.802 ppm2 3.680
ASSI { 17361}
  (( segid "PROT" and resid 15  and name HE  ))
  (( segid "PROT" and resid 12  and name HA  ))
     6 6 0 peak 17361 weight  0.1000E+01 volume 5.49490 ppm1 7.802 ppm2 4.171
ASSI { 17371}
  (( segid "PROT" and resid 71  and name HN  ))
  (( segid "PROT" and resid 71  and name HA  ))
     6 6 0 peak 17371 weight  0.1000E+01 volume 57.39920 ppm1 8.116 ppm2 4.774
ASSI { 17381}
  (( segid "PROT" and resid 72  and name HN  ))
  (( segid "PROT" and resid 71  and name HA  ))
     6 6 0 peak 17381 weight  0.1000E+01 volume 21.93050 ppm1 8.901 ppm2 4.768
ASSI { 17391}
  (( segid "PROT" and resid 88  and name HN  ))
  (( segid "PROT" and resid 87  and name HA  ))
     6 6 0 peak 17391 weight  0.1000E+01 volume 27.18940 ppm1 7.305 ppm2 4.479
ASSI { 17401}
  (( segid "PROT" and resid 99  and name HN  ))
  (( segid "PROT" and resid 99  and name HB1  ))
     6 6 0 peak 17401 weight  0.1000E+01 volume 30.47240 ppm1 7.315 ppm2 3.390
ASSI { 17431}
  (( segid "PROT" and resid 82  and name HE1  ))
  (( segid "PROT" and resid 82  and name HN  ))
     6 6 0 peak 17431 weight  0.1000E+01 volume 9.94500 ppm1 10.511 ppm2 7.934
ASSI { 17441}
  (( segid "PROT" and resid 27  and name HE  ))
  (( segid "PROT" and resid 27  and name HA  ))
     6 6 0 peak 17441 weight  0.1000E+01 volume 8.45160 ppm1 7.320 ppm2 4.010
! F3 (1H): 0.04 ppm
! F2 (X): 0.4 ppm
! F1 (1H): 0.04 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 10.551  and attr rmsd >  10.471  ) 
  and bondedto( attr rmsd <  127.797  and attr rmsd > 126.997  )) 
     ( attr rmsd < 1.332  and attr rmsd > 1.252  ) 
  6 6 0  peak  61  volume  549.76648 ppm1  10.511  ppm2  1.292
assi (( attr rmsd < 10.549  and attr rmsd >  10.469  ) 
  and bondedto( attr rmsd <  127.792  and attr rmsd > 126.992  )) 
     ( attr rmsd < 7.238  and attr rmsd > 7.158  ) 
  6 6 0  peak  71  volume  161.86880 ppm1  10.509  ppm2  7.198
assi (( attr rmsd < 8.894  and attr rmsd >  8.814  ) 
  and bondedto( attr rmsd <  127.419  and attr rmsd > 126.619  )) 
     ( attr rmsd < 7.043  and attr rmsd > 6.963  ) 
  6 6 0  peak  81  volume  239.65311 ppm1  8.854  ppm2  7.003
assi (( attr rmsd < 7.902  and attr rmsd >  7.822  ) 
  and bondedto( attr rmsd <  118.623  and attr rmsd > 117.823  )) 
     ( attr rmsd < 1.772  and attr rmsd > 1.692  ) 
  6 6 0  peak  1411  volume  78.40440 ppm1  7.862  ppm2  1.732
assi (( attr rmsd < 7.336  and attr rmsd >  7.256  ) 
  and bondedto( attr rmsd <  117.763  and attr rmsd > 116.963  )) 
     ( attr rmsd < 0.927  and attr rmsd > 0.847  ) 
  6 6 0  peak  1781  volume  33.43070 ppm1  7.296  ppm2  0.887
assi (( attr rmsd < 7.361  and attr rmsd >  7.281  ) 
  and bondedto( attr rmsd <  115.156  and attr rmsd > 114.356  )) 
     ( attr rmsd < 2.308  and attr rmsd > 2.228  ) 
  6 6 0  peak  2331  volume  113.25820 ppm1  7.321  ppm2  2.268
assi (( attr rmsd < 8.029  and attr rmsd >  7.949  ) 
  and bondedto( attr rmsd <  111.558  and attr rmsd > 110.758  )) 
     ( attr rmsd < 0.687  and attr rmsd > 0.607  ) 
  6 6 0  peak  2691  volume  5.94540 ppm1  7.989  ppm2  0.647
assi (( attr rmsd < 10.328  and attr rmsd >  10.248  ) 
  and bondedto( attr rmsd <  111.067  and attr rmsd > 110.267  )) 
     ( attr rmsd < 1.54  and attr rmsd > 1.46  ) 
  6 6 0  peak  2701  volume  176.76250 ppm1  10.288  ppm2  1.500
assi (( attr rmsd < 10.331  and attr rmsd >  10.251  ) 
  and bondedto( attr rmsd <  111.063  and attr rmsd > 110.263  )) 
     ( attr rmsd < 2.253  and attr rmsd > 2.173  ) 
  6 6 0  peak  2721  volume  206.07420 ppm1  10.291  ppm2  2.213
assi (( attr rmsd < 10.55  and attr rmsd >  10.47  ) 
  and bondedto( attr rmsd <  127.798  and attr rmsd > 126.998  )) 
     ( attr rmsd < 2.544  and attr rmsd > 2.464  ) 
  6 6 0  peak  2791  volume  23.01300 ppm1  10.510  ppm2  2.504
assi (( attr rmsd < 7.844  and attr rmsd >  7.764  ) 
  and bondedto( attr rmsd <  124.028  and attr rmsd > 123.228  )) 
     ( attr rmsd < 2.072  and attr rmsd > 1.992  ) 
  6 6 0  peak  3001  volume  36.72410 ppm1  7.804  ppm2  2.032
assi (( attr rmsd < 8.036  and attr rmsd >  7.956  ) 
  and bondedto( attr rmsd <  122.541  and attr rmsd > 121.741  )) 
     ( attr rmsd < 2.347  and attr rmsd > 2.267  ) 
  6 6 0  peak  3181  volume  30.57280 ppm1  7.996  ppm2  2.307
assi (( attr rmsd < 8.037  and attr rmsd >  7.957  ) 
  and bondedto( attr rmsd <  122.541  and attr rmsd > 121.741  )) 
     ( attr rmsd < 1.6  and attr rmsd > 1.52  ) 
  6 6 0  peak  3211  volume  24.34450 ppm1  7.997  ppm2  1.560
assi (( attr rmsd < 7.901  and attr rmsd >  7.821  ) 
  and bondedto( attr rmsd <  118.628  and attr rmsd > 117.828  )) 
     ( attr rmsd < 2.234  and attr rmsd > 2.154  ) 
  6 6 0  peak  3821  volume  21.51340 ppm1  7.861  ppm2  2.194
assi (( attr rmsd < 8.465  and attr rmsd >  8.385  ) 
  and bondedto( attr rmsd <  118.773  and attr rmsd > 117.973  )) 
     ( attr rmsd < 6.856  and attr rmsd > 6.776  ) 
  6 6 0  peak  3841  volume  15.38440 ppm1  8.425  ppm2  6.816
assi (( attr rmsd < 8.079  and attr rmsd >  7.999  ) 
  and bondedto( attr rmsd <  115.384  and attr rmsd > 114.584  )) 
     ( attr rmsd < 1.793  and attr rmsd > 1.713  ) 
  6 6 0  peak  4371  volume  12.82620 ppm1  8.039  ppm2  1.753
assi (( attr rmsd < 7.672  and attr rmsd >  7.592  ) 
  and bondedto( attr rmsd <  113.4  and attr rmsd > 112.6  )) 
     ( attr rmsd < 9  and attr rmsd > 8.92  ) 
  6 6 0  peak  4461  volume  91.06850 ppm1  7.632  ppm2  8.960
assi (( attr rmsd < 8.03  and attr rmsd >  7.95  ) 
  and bondedto( attr rmsd <  111.543  and attr rmsd > 110.743  )) 
     ( attr rmsd < 0.809  and attr rmsd > 0.729  ) 
  6 6 0  peak  4631  volume  90.81290 ppm1  7.990  ppm2  0.769
assi (( attr rmsd < 7.632  and attr rmsd >  7.552  ) 
  and bondedto( attr rmsd <  111.235  and attr rmsd > 110.435  )) 
     ( attr rmsd < 6.87  and attr rmsd > 6.79  ) 
  6 6 0  peak  4651  volume  30.97190 ppm1  7.592  ppm2  6.830
assi (( attr rmsd < 6.872  and attr rmsd >  6.792  ) 
  and bondedto( attr rmsd <  111.235  and attr rmsd > 110.435  )) 
     ( attr rmsd < 7.622  and attr rmsd > 7.542  ) 
  6 6 0  peak  4661  volume  245.28819 ppm1  6.832  ppm2  7.582
assi (( attr rmsd < 7.471  and attr rmsd >  7.391  ) 
  and bondedto( attr rmsd <  110.31  and attr rmsd > 109.51  )) 
     ( attr rmsd < 2.499  and attr rmsd > 2.419  ) 
  6 6 0  peak  4691  volume  38.45030 ppm1  7.431  ppm2  2.459
assi (( attr rmsd < 10.551  and attr rmsd >  10.471  ) 
  and bondedto( attr rmsd <  127.798  and attr rmsd > 126.998  )) 
     ( attr rmsd < 4.637  and attr rmsd > 4.557  ) 
  6 6 0  peak  4751  volume  13.08370 ppm1  10.511  ppm2  4.597
assi (( attr rmsd < 10.548  and attr rmsd >  10.468  ) 
  and bondedto( attr rmsd <  127.798  and attr rmsd > 126.998  )) 
     ( attr rmsd < 0.913  and attr rmsd > 0.833  ) 
  6 6 0  peak  4811  volume  64.17920 ppm1  10.508  ppm2  0.873
assi (( attr rmsd < 7.328  and attr rmsd >  7.248  ) 
  and bondedto( attr rmsd <  125.247  and attr rmsd > 124.447  )) 
     ( attr rmsd < 2.021  and attr rmsd > 1.941  ) 
  6 6 0  peak  4911  volume  12.79330 ppm1  7.288  ppm2  1.981
assi (( attr rmsd < 8.716  and attr rmsd >  8.636  ) 
  and bondedto( attr rmsd <  123.566  and attr rmsd > 122.766  )) 
     ( attr rmsd < 0.796  and attr rmsd > 0.716  ) 
  6 6 0  peak  4951  volume  115.77560 ppm1  8.676  ppm2  0.756
assi (( attr rmsd < 10.33  and attr rmsd >  10.25  ) 
  and bondedto( attr rmsd <  111.069  and attr rmsd > 110.269  )) 
     ( attr rmsd < 3.825  and attr rmsd > 3.745  ) 
  6 6 0  peak  5251  volume  28.89420 ppm1  10.290  ppm2  3.785
assi (( attr rmsd < 10.548  and attr rmsd >  10.468  ) 
  and bondedto( attr rmsd <  127.792  and attr rmsd > 126.992  )) 
     ( attr rmsd < 6.916  and attr rmsd > 6.836  ) 
  6 6 0  peak  5311  volume  61.64930 ppm1  10.508  ppm2  6.876
assi (( attr rmsd < 10.551  and attr rmsd >  10.471  ) 
  and bondedto( attr rmsd <  127.792  and attr rmsd > 126.992  )) 
     ( attr rmsd < 4.431  and attr rmsd > 4.351  ) 
  6 6 0  peak  5321  volume  6.05370 ppm1  10.511  ppm2  4.391
assi (( attr rmsd < 7.022  and attr rmsd >  6.942  ) 
  and bondedto( attr rmsd <  123.01  and attr rmsd > 122.21  )) 
     ( attr rmsd < 1.151  and attr rmsd > 1.071  ) 
  6 6 0  peak  5781  volume  67.56760 ppm1  6.982  ppm2  1.111
assi (( attr rmsd < 8.704  and attr rmsd >  8.624  ) 
  and bondedto( attr rmsd <  120.33  and attr rmsd > 119.53  )) 
     ( attr rmsd < 0.069  and attr rmsd > -0.011  ) 
  6 6 0  peak  6521  volume  8.23810 ppm1  8.664  ppm2  0.029
assi (( attr rmsd < 7.902  and attr rmsd >  7.822  ) 
  and bondedto( attr rmsd <  118.627  and attr rmsd > 117.827  )) 
     ( attr rmsd < 3.451  and attr rmsd > 3.371  ) 
  6 6 0  peak  7051  volume  21.14080 ppm1  7.862  ppm2  3.411
assi (( attr rmsd < 6.6  and attr rmsd >  6.52  ) 
  and bondedto( attr rmsd <  118.394  and attr rmsd > 117.594  )) 
     ( attr rmsd < 1.362  and attr rmsd > 1.282  ) 
  6 6 0  peak  7381  volume  27.17270 ppm1  6.560  ppm2  1.322
assi (( attr rmsd < 7.65  and attr rmsd >  7.57  ) 
  and bondedto( attr rmsd <  114.38  and attr rmsd > 113.58  )) 
     ( attr rmsd < 1.161  and attr rmsd > 1.081  ) 
  6 6 0  peak  8031  volume  47.59140 ppm1  7.610  ppm2  1.121
assi (( attr rmsd < 7.574  and attr rmsd >  7.494  ) 
  and bondedto( attr rmsd <  111.665  and attr rmsd > 110.865  )) 
     ( attr rmsd < 1.192  and attr rmsd > 1.112  ) 
  6 6 0  peak  8271  volume  10.34260 ppm1  7.534  ppm2  1.152
assi (( attr rmsd < 10.332  and attr rmsd >  10.252  ) 
  and bondedto( attr rmsd <  111.065  and attr rmsd > 110.265  )) 
     ( attr rmsd < 7.951  and attr rmsd > 7.871  ) 
  6 6 0  peak  8321  volume  36.59740 ppm1  10.292  ppm2  7.911
assi (( attr rmsd < 10.327  and attr rmsd >  10.247  ) 
  and bondedto( attr rmsd <  111.065  and attr rmsd > 110.265  )) 
     ( attr rmsd < 2.487  and attr rmsd > 2.407  ) 
  6 6 0  peak  8341  volume  48.26220 ppm1  10.287  ppm2  2.447
assi (( attr rmsd < 8.466  and attr rmsd >  8.386  ) 
  and bondedto( attr rmsd <  118.772  and attr rmsd > 117.972  )) 
     ( attr rmsd < 1.523  and attr rmsd > 1.443  ) 
  6 6 0  peak  8891  volume  38.43850 ppm1  8.426  ppm2  1.483
assi (( attr rmsd < 9.17  and attr rmsd >  9.09  ) 
  and bondedto( attr rmsd <  120.4  and attr rmsd > 119.6  )) 
     ( attr rmsd < 3.321  and attr rmsd > 3.241  ) 
  6 6 0  peak  9491  volume  15.12240 ppm1  9.130  ppm2  3.281
assi (( attr rmsd < 8.155  and attr rmsd >  8.075  ) 
  and bondedto( attr rmsd <  118.095  and attr rmsd > 117.295  )) 
     ( attr rmsd < 1.84  and attr rmsd > 1.76  ) 
  6 6 0  peak  9551  volume  17.64230 ppm1  8.115  ppm2  1.800
assi (( attr rmsd < 7.453  and attr rmsd >  7.373  ) 
  and bondedto( attr rmsd <  122.3  and attr rmsd > 121.5  )) 
     ( attr rmsd < 1.78  and attr rmsd > 1.7  ) 
  6 6 0  peak  9571  volume  28.12840 ppm1  7.413  ppm2  1.740
assi (( attr rmsd < 8.549  and attr rmsd >  8.469  ) 
  and bondedto( attr rmsd <  113.689  and attr rmsd > 112.889  )) 
     ( attr rmsd < 1.599  and attr rmsd > 1.519  ) 
  6 6 0  peak  9991  volume  14.82140 ppm1  8.509  ppm2  1.559
assi (( attr rmsd < 8.896  and attr rmsd >  8.816  ) 
  and bondedto( attr rmsd <  127.408  and attr rmsd > 126.608  )) 
     ( attr rmsd < 0.073  and attr rmsd > -0.007  ) 
  6 6 0  peak  10021  volume  19.70480 ppm1  8.856  ppm2  0.033
assi (( attr rmsd < 10.548  and attr rmsd >  10.468  ) 
  and bondedto( attr rmsd <  127.793  and attr rmsd > 126.993  )) 
     ( attr rmsd < 1.174  and attr rmsd > 1.094  ) 
  6 6 0  peak  10031  volume  35.62540 ppm1  10.508  ppm2  1.134
assi (( attr rmsd < 10.549  and attr rmsd >  10.469  ) 
  and bondedto( attr rmsd <  127.793  and attr rmsd > 126.993  )) 
     ( attr rmsd < 0.754  and attr rmsd > 0.674  ) 
  6 6 0  peak  10041  volume  26.17460 ppm1  10.509  ppm2  0.714
assi (( attr rmsd < 10.548  and attr rmsd >  10.468  ) 
  and bondedto( attr rmsd <  127.793  and attr rmsd > 126.993  )) 
     ( attr rmsd < 7.068  and attr rmsd > 6.988  ) 
  6 6 0  peak  10051  volume  43.40000 ppm1  10.508  ppm2  7.028
assi (( attr rmsd < 8.496  and attr rmsd >  8.416  ) 
  and bondedto( attr rmsd <  113.226  and attr rmsd > 112.426  )) 
     ( attr rmsd < 0.079  and attr rmsd > -0.001  ) 
  6 6 0  peak  10111  volume  7.60340 ppm1  8.456  ppm2  0.039
assi (( attr rmsd < 7.871  and attr rmsd >  7.791  ) 
  and bondedto( attr rmsd <  113.381  and attr rmsd > 112.581  )) 
     ( attr rmsd < 2.111  and attr rmsd > 2.031  ) 
  6 6 0  peak  10151  volume  10.84780 ppm1  7.831  ppm2  2.071
assi (( attr rmsd < 7.797  and attr rmsd >  7.717  ) 
  and bondedto( attr rmsd <  115.539  and attr rmsd > 114.739  )) 
     ( attr rmsd < 1.367  and attr rmsd > 1.287  ) 
  6 6 0  peak  10371  volume  5.63010 ppm1  7.757  ppm2  1.327
assi (( attr rmsd < 7.826  and attr rmsd >  7.746  ) 
  and bondedto( attr rmsd <  116.001  and attr rmsd > 115.201  )) 
     ( attr rmsd < 0.877  and attr rmsd > 0.797  ) 
  6 6 0  peak  10471  volume  7.05940 ppm1  7.786  ppm2  0.837
assi (( attr rmsd < 8.188  and attr rmsd >  8.108  ) 
  and bondedto( attr rmsd <  119.007  and attr rmsd > 118.207  )) 
     ( attr rmsd < 0.885  and attr rmsd > 0.805  ) 
  6 6 0  peak  10741  volume  8.85290 ppm1  8.148  ppm2  0.845
assi (( attr rmsd < 7.621  and attr rmsd >  7.541  ) 
  and bondedto( attr rmsd <  119.315  and attr rmsd > 118.515  )) 
     ( attr rmsd < 1.744  and attr rmsd > 1.664  ) 
  6 6 0  peak  10831  volume  13.49640 ppm1  7.581  ppm2  1.704
assi (( attr rmsd < 8.942  and attr rmsd >  8.862  ) 
  and bondedto( attr rmsd <  121.088  and attr rmsd > 120.288  )) 
     ( attr rmsd < 6.853  and attr rmsd > 6.773  ) 
  6 6 0  peak  10981  volume  21.18180 ppm1  8.902  ppm2  6.813
assi (( attr rmsd < 6.483  and attr rmsd >  6.403  ) 
  and bondedto( attr rmsd <  122.321  and attr rmsd > 121.521  )) 
     ( attr rmsd < 3.763  and attr rmsd > 3.683  ) 
  6 6 0  peak  11151  volume  16.48870 ppm1  6.443  ppm2  3.723
assi (( attr rmsd < 8.518  and attr rmsd >  8.438  ) 
  and bondedto( attr rmsd <  123.246  and attr rmsd > 122.446  )) 
     ( attr rmsd < 2.039  and attr rmsd > 1.959  ) 
  6 6 0  peak  11271  volume  13.19030 ppm1  8.478  ppm2  1.999
assi (( attr rmsd < 8.388  and attr rmsd >  8.308  ) 
  and bondedto( attr rmsd <  123.323  and attr rmsd > 122.523  )) 
     ( attr rmsd < 4.337  and attr rmsd > 4.257  ) 
  6 6 0  peak  11281  volume  261.85220 ppm1  8.348  ppm2  4.297
assi (( attr rmsd < 8.386  and attr rmsd >  8.306  ) 
  and bondedto( attr rmsd <  123.323  and attr rmsd > 122.523  )) 
     ( attr rmsd < 1.621  and attr rmsd > 1.541  ) 
  6 6 0  peak  11291  volume  20.66160 ppm1  8.346  ppm2  1.581
assi (( attr rmsd < 0.128  and attr rmsd >  0.048  ) 
  and bondedto( attr rmsd <  4.0966  and attr rmsd > 3.2966  )) 
     ( attr rmsd < 0.04  and attr rmsd > -0.04  ) 
  6 6 0  peak  11301  volume  20.66160 ppm1  0.088  ppm2  0.000
assi (( attr rmsd < 8.39  and attr rmsd >  8.31  ) 
  and bondedto( attr rmsd <  123.323  and attr rmsd > 122.523  )) 
     ( attr rmsd < 1.429  and attr rmsd > 1.349  ) 
  6 6 0  peak  11311  volume  46.64800 ppm1  8.350  ppm2  1.389
assi (( attr rmsd < 7.568  and attr rmsd >  7.488  ) 
  and bondedto( attr rmsd <  124.093  and attr rmsd > 123.293  )) 
     ( attr rmsd < 2.552  and attr rmsd > 2.472  ) 
  6 6 0  peak  11361  volume  8.86750 ppm1  7.528  ppm2  2.512
assi (( attr rmsd < 7.84  and attr rmsd >  7.76  ) 
  and bondedto( attr rmsd <  124.016  and attr rmsd > 123.216  )) 
     ( attr rmsd < 4.408  and attr rmsd > 4.328  ) 
  6 6 0  peak  11391  volume  26.67490 ppm1  7.800  ppm2  4.368
assi (( attr rmsd < 10.329  and attr rmsd >  10.249  ) 
  and bondedto( attr rmsd <  111.068  and attr rmsd > 110.268  )) 
     ( attr rmsd < 4.664  and attr rmsd > 4.584  ) 
  6 6 0  peak  11781  volume  4.98990 ppm1  10.289  ppm2  4.624
assi (( attr rmsd < 10.334  and attr rmsd >  10.254  ) 
  and bondedto( attr rmsd <  111.068  and attr rmsd > 110.268  )) 
     ( attr rmsd < 1.866  and attr rmsd > 1.786  ) 
  6 6 0  peak  11791  volume  18.49630 ppm1  10.294  ppm2  1.826
assi (( attr rmsd < 7.037  and attr rmsd >  6.957  ) 
  and bondedto( attr rmsd <  115.77  and attr rmsd > 114.97  )) 
     ( attr rmsd < 0.951  and attr rmsd > 0.871  ) 
  6 6 0  peak  12041  volume  16.98530 ppm1  6.997  ppm2  0.911
assi (( attr rmsd < 8.414  and attr rmsd >  8.334  ) 
  and bondedto( attr rmsd <  120.934  and attr rmsd > 120.134  )) 
     ( attr rmsd < 2.327  and attr rmsd > 2.247  ) 
  6 6 0  peak  12181  volume  16.28140 ppm1  8.374  ppm2  2.287
assi (( attr rmsd < 8.416  and attr rmsd >  8.336  ) 
  and bondedto( attr rmsd <  120.934  and attr rmsd > 120.134  )) 
     ( attr rmsd < 2.028  and attr rmsd > 1.948  ) 
  6 6 0  peak  12191  volume  39.41860 ppm1  8.376  ppm2  1.988
assi (( attr rmsd < 8.417  and attr rmsd >  8.337  ) 
  and bondedto( attr rmsd <  120.934  and attr rmsd > 120.134  )) 
     ( attr rmsd < 3.124  and attr rmsd > 3.044  ) 
  6 6 0  peak  12201  volume  12.42290 ppm1  8.377  ppm2  3.084
assi (( attr rmsd < 8.415  and attr rmsd >  8.335  ) 
  and bondedto( attr rmsd <  120.934  and attr rmsd > 120.134  )) 
     ( attr rmsd < 3.717  and attr rmsd > 3.637  ) 
  6 6 0  peak  12211  volume  8.85710 ppm1  8.375  ppm2  3.677
assi (( attr rmsd < 8.416  and attr rmsd >  8.336  ) 
  and bondedto( attr rmsd <  120.934  and attr rmsd > 120.134  )) 
     ( attr rmsd < 4.147  and attr rmsd > 4.067  ) 
  6 6 0  peak  12221  volume  54.94310 ppm1  8.376  ppm2  4.107
assi (( attr rmsd < 8.416  and attr rmsd >  8.336  ) 
  and bondedto( attr rmsd <  120.934  and attr rmsd > 120.134  )) 
     ( attr rmsd < 4.394  and attr rmsd > 4.314  ) 
  6 6 0  peak  12231  volume  67.97590 ppm1  8.376  ppm2  4.354
assi (( attr rmsd < 8.325  and attr rmsd >  8.245  ) 
  and bondedto( attr rmsd <  122.321  and attr rmsd > 121.521  )) 
     ( attr rmsd < 4.386  and attr rmsd > 4.306  ) 
  6 6 0  peak  12241  volume  115.77530 ppm1  8.285  ppm2  4.346
assi (( attr rmsd < 8.326  and attr rmsd >  8.246  ) 
  and bondedto( attr rmsd <  122.321  and attr rmsd > 121.521  )) 
     ( attr rmsd < 2.03  and attr rmsd > 1.95  ) 
  6 6 0  peak  12251  volume  5.05480 ppm1  8.286  ppm2  1.990
assi (( attr rmsd < 8.325  and attr rmsd >  8.245  ) 
  and bondedto( attr rmsd <  122.321  and attr rmsd > 121.521  )) 
     ( attr rmsd < 1.77  and attr rmsd > 1.69  ) 
  6 6 0  peak  12261  volume  28.94180 ppm1  8.285  ppm2  1.730
assi (( attr rmsd < 8.324  and attr rmsd >  8.244  ) 
  and bondedto( attr rmsd <  122.321  and attr rmsd > 121.521  )) 
     ( attr rmsd < 1.625  and attr rmsd > 1.545  ) 
  6 6 0  peak  12271  volume  21.61410 ppm1  8.284  ppm2  1.585
assi (( attr rmsd < 8.186  and attr rmsd >  8.106  ) 
  and bondedto( attr rmsd <  119.007  and attr rmsd > 118.207  )) 
     ( attr rmsd < 0.798  and attr rmsd > 0.718  ) 
  6 6 0  peak  12581  volume  11.32460 ppm1  8.146  ppm2  0.758
assi (( attr rmsd < 7.483  and attr rmsd >  7.403  ) 
  and bondedto( attr rmsd <  117.542  and attr rmsd > 116.742  )) 
     ( attr rmsd < 1.93  and attr rmsd > 1.85  ) 
  6 6 0  peak  12631  volume  14.32890 ppm1  7.443  ppm2  1.890
assi (( attr rmsd < 7.486  and attr rmsd >  7.406  ) 
  and bondedto( attr rmsd <  117.542  and attr rmsd > 116.742  )) 
     ( attr rmsd < 0.699  and attr rmsd > 0.619  ) 
  6 6 0  peak  12651  volume  29.80600 ppm1  7.446  ppm2  0.659
assi (( attr rmsd < 7.514  and attr rmsd >  7.434  ) 
  and bondedto( attr rmsd <  127.099  and attr rmsd > 126.299  )) 
     ( attr rmsd < 0.935  and attr rmsd > 0.855  ) 
  6 6 0  peak  12741  volume  12.70280 ppm1  7.474  ppm2  0.895
assi (( attr rmsd < 7.52  and attr rmsd >  7.44  ) 
  and bondedto( attr rmsd <  127.099  and attr rmsd > 126.299  )) 
     ( attr rmsd < 0.802  and attr rmsd > 0.722  ) 
  6 6 0  peak  12751  volume  7.13170 ppm1  7.480  ppm2  0.762
assi (( attr rmsd < 7.081  and attr rmsd >  7.001  ) 
  and bondedto( attr rmsd <  125.404  and attr rmsd > 124.604  )) 
     ( attr rmsd < 0.902  and attr rmsd > 0.822  ) 
  6 6 0  peak  12791  volume  8.50100 ppm1  7.041  ppm2  0.862
assi (( attr rmsd < 7.937  and attr rmsd >  7.857  ) 
  and bondedto( attr rmsd <  117.388  and attr rmsd > 116.588  )) 
     ( attr rmsd < 0.593  and attr rmsd > 0.513  ) 
  6 6 0  peak  13031  volume  8.47820 ppm1  7.897  ppm2  0.553
assi (( attr rmsd < 7.87  and attr rmsd >  7.79  ) 
  and bondedto( attr rmsd <  113.381  and attr rmsd > 112.581  )) 
     ( attr rmsd < 1.094  and attr rmsd > 1.014  ) 
  6 6 0  peak  13051  volume  9.79850 ppm1  7.830  ppm2  1.054
assi (( attr rmsd < 8.469  and attr rmsd >  8.389  ) 
  and bondedto( attr rmsd <  118.776  and attr rmsd > 117.976  )) 
     ( attr rmsd < 2.964  and attr rmsd > 2.884  ) 
  6 6 0  peak  13711  volume  14.22970 ppm1  8.429  ppm2  2.924
assi (( attr rmsd < 8.468  and attr rmsd >  8.388  ) 
  and bondedto( attr rmsd <  118.776  and attr rmsd > 117.976  )) 
     ( attr rmsd < 1.775  and attr rmsd > 1.695  ) 
  6 6 0  peak  13731  volume  18.26900 ppm1  8.428  ppm2  1.735
assi (( attr rmsd < 8.04  and attr rmsd >  7.96  ) 
  and bondedto( attr rmsd <  122.552  and attr rmsd > 121.752  )) 
     ( attr rmsd < -0.53  and attr rmsd > -0.61  ) 
  6 6 0  peak  13751  volume  2.51810 ppm1  8.000  ppm2  -0.570
assi (( attr rmsd < 8.664  and attr rmsd >  8.584  ) 
  and bondedto( attr rmsd <  122.86  and attr rmsd > 122.06  )) 
     ( attr rmsd < 2.173  and attr rmsd > 2.093  ) 
  6 6 0  peak  13921  volume  4.63130 ppm1  8.624  ppm2  2.133
assi (( attr rmsd < 7.469  and attr rmsd >  7.389  ) 
  and bondedto( attr rmsd <  110.298  and attr rmsd > 109.498  )) 
     ( attr rmsd < 1.577  and attr rmsd > 1.497  ) 
  6 6 0  peak  14231  volume  8.32270 ppm1  7.429  ppm2  1.537
assi (( attr rmsd < 8.415  and attr rmsd >  8.335  ) 
  and bondedto( attr rmsd <  115.153  and attr rmsd > 114.353  )) 
     ( attr rmsd < 6.843  and attr rmsd > 6.763  ) 
  6 6 0  peak  14261  volume  6.44600 ppm1  8.375  ppm2  6.803
assi (( attr rmsd < 7.709  and attr rmsd >  7.629  ) 
  and bondedto( attr rmsd <  114.614  and attr rmsd > 113.814  )) 
     ( attr rmsd < 7.146  and attr rmsd > 7.066  ) 
  6 6 0  peak  14321  volume  16.62530 ppm1  7.669  ppm2  7.106
assi (( attr rmsd < 7.708  and attr rmsd >  7.628  ) 
  and bondedto( attr rmsd <  114.614  and attr rmsd > 113.814  )) 
     ( attr rmsd < 7.43  and attr rmsd > 7.35  ) 
  6 6 0  peak  14331  volume  17.09620 ppm1  7.668  ppm2  7.390
assi (( attr rmsd < 7.962  and attr rmsd >  7.882  ) 
  and bondedto( attr rmsd <  115.77  and attr rmsd > 114.97  )) 
     ( attr rmsd < 1.187  and attr rmsd > 1.107  ) 
  6 6 0  peak  14371  volume  11.53690 ppm1  7.922  ppm2  1.147
assi (( attr rmsd < 7.972  and attr rmsd >  7.892  ) 
  and bondedto( attr rmsd <  115.77  and attr rmsd > 114.97  )) 
     ( attr rmsd < 1.334  and attr rmsd > 1.254  ) 
  6 6 0  peak  14381  volume  7.23240 ppm1  7.932  ppm2  1.294
assi (( attr rmsd < 7.963  and attr rmsd >  7.883  ) 
  and bondedto( attr rmsd <  115.77  and attr rmsd > 114.97  )) 
     ( attr rmsd < 1.472  and attr rmsd > 1.392  ) 
  6 6 0  peak  14391  volume  19.66430 ppm1  7.923  ppm2  1.432
assi (( attr rmsd < 7.362  and attr rmsd >  7.282  ) 
  and bondedto( attr rmsd <  119.546  and attr rmsd > 118.746  )) 
     ( attr rmsd < 1.558  and attr rmsd > 1.478  ) 
  6 6 0  peak  14511  volume  6.16190 ppm1  7.322  ppm2  1.518
assi (( attr rmsd < 8.482  and attr rmsd >  8.402  ) 
  and bondedto( attr rmsd <  117.388  and attr rmsd > 116.588  )) 
     ( attr rmsd < 2.106  and attr rmsd > 2.026  ) 
  6 6 0  peak  14561  volume  5.72980 ppm1  8.442  ppm2  2.066
assi (( attr rmsd < 8.963  and attr rmsd >  8.883  ) 
  and bondedto( attr rmsd <  119.623  and attr rmsd > 118.823  )) 
     ( attr rmsd < 6.681  and attr rmsd > 6.601  ) 
  6 6 0  peak  14741  volume  8.26940 ppm1  8.923  ppm2  6.641
assi (( attr rmsd < 8.969  and attr rmsd >  8.889  ) 
  and bondedto( attr rmsd <  119.623  and attr rmsd > 118.823  )) 
     ( attr rmsd < 3.731  and attr rmsd > 3.651  ) 
  6 6 0  peak  14751  volume  3.95870 ppm1  8.929  ppm2  3.691
assi (( attr rmsd < 7.352  and attr rmsd >  7.272  ) 
  and bondedto( attr rmsd <  121.854  and attr rmsd > 121.054  )) 
     ( attr rmsd < 7.049  and attr rmsd > 6.969  ) 
  6 6 0  peak  14851  volume  18.22780 ppm1  7.312  ppm2  7.009
assi (( attr rmsd < 8.835  and attr rmsd >  8.755  ) 
  and bondedto( attr rmsd <  118.467  and attr rmsd > 117.667  )) 
     ( attr rmsd < 7.165  and attr rmsd > 7.085  ) 
  6 6 0  peak  15021  volume  4.27980 ppm1  8.795  ppm2  7.125
assi (( attr rmsd < 7.211  and attr rmsd >  7.131  ) 
  and bondedto( attr rmsd <  118.159  and attr rmsd > 117.359  )) 
     ( attr rmsd < 6.886  and attr rmsd > 6.806  ) 
  6 6 0  peak  15111  volume  6.69000 ppm1  7.171  ppm2  6.846
assi (( attr rmsd < 9.214  and attr rmsd >  9.134  ) 
  and bondedto( attr rmsd <  121.781  and attr rmsd > 120.981  )) 
     ( attr rmsd < 8.956  and attr rmsd > 8.876  ) 
  6 6 0  peak  15151  volume  3.33130 ppm1  9.174  ppm2  8.916
assi (( attr rmsd < 8.584  and attr rmsd >  8.504  ) 
  and bondedto( attr rmsd <  120.548  and attr rmsd > 119.748  )) 
     ( attr rmsd < 0.068  and attr rmsd > -0.012  ) 
  6 6 0  peak  15231  volume  4.98200 ppm1  8.544  ppm2  0.028
assi (( attr rmsd < 7.838  and attr rmsd >  7.758  ) 
  and bondedto( attr rmsd <  123.014  and attr rmsd > 122.214  )) 
     ( attr rmsd < 2.275  and attr rmsd > 2.195  ) 
  6 6 0  peak  15321  volume  14.01490 ppm1  7.798  ppm2  2.235
assi (( attr rmsd < 7.83  and attr rmsd >  7.75  ) 
  and bondedto( attr rmsd <  123.014  and attr rmsd > 122.214  )) 
     ( attr rmsd < 1.128  and attr rmsd > 1.048  ) 
  6 6 0  peak  15341  volume  7.00870 ppm1  7.790  ppm2  1.088
assi (( attr rmsd < 8.005  and attr rmsd >  7.925  ) 
  and bondedto( attr rmsd <  120.934  and attr rmsd > 120.134  )) 
     ( attr rmsd < 2.544  and attr rmsd > 2.464  ) 
  6 6 0  peak  15431  volume  6.46240 ppm1  7.965  ppm2  2.504
assi (( attr rmsd < 8.869  and attr rmsd >  8.789  ) 
  and bondedto( attr rmsd <  118.082  and attr rmsd > 117.282  )) 
     ( attr rmsd < 7.245  and attr rmsd > 7.165  ) 
  6 6 0  peak  15581  volume  4.73460 ppm1  8.829  ppm2  7.205
assi (( attr rmsd < 8.479  and attr rmsd >  8.399  ) 
  and bondedto( attr rmsd <  125.866  and attr rmsd > 125.066  )) 
     ( attr rmsd < 2.639  and attr rmsd > 2.559  ) 
  6 6 0  peak  15811  volume  6.71270 ppm1  8.439  ppm2  2.599
assi (( attr rmsd < 8.858  and attr rmsd >  8.778  ) 
  and bondedto( attr rmsd <  123.246  and attr rmsd > 122.446  )) 
     ( attr rmsd < 2.234  and attr rmsd > 2.154  ) 
  6 6 0  peak  15881  volume  3.60660 ppm1  8.818  ppm2  2.194
assi (( attr rmsd < 8.554  and attr rmsd >  8.474  ) 
  and bondedto( attr rmsd <  124.016  and attr rmsd > 123.216  )) 
     ( attr rmsd < 1.798  and attr rmsd > 1.718  ) 
  6 6 0  peak  16051  volume  58.92410 ppm1  8.514  ppm2  1.758
assi (( attr rmsd < 8.553  and attr rmsd >  8.473  ) 
  and bondedto( attr rmsd <  124.016  and attr rmsd > 123.216  )) 
     ( attr rmsd < 4.36  and attr rmsd > 4.28  ) 
  6 6 0  peak  16061  volume  71.19800 ppm1  8.513  ppm2  4.320
assi (( attr rmsd < 7.08  and attr rmsd >  7  ) 
  and bondedto( attr rmsd <  125.404  and attr rmsd > 124.604  )) 
     ( attr rmsd < 0.83  and attr rmsd > 0.75  ) 
  6 6 0  peak  16091  volume  5.60460 ppm1  7.040  ppm2  0.790
assi (( attr rmsd < 8.068  and attr rmsd >  7.988  ) 
  and bondedto( attr rmsd <  114.228  and attr rmsd > 113.428  )) 
     ( attr rmsd < 0.826  and attr rmsd > 0.746  ) 
  6 6 0  peak  16101  volume  6.65570 ppm1  8.028  ppm2  0.786
assi (( attr rmsd < 7.326  and attr rmsd >  7.246  ) 
  and bondedto( attr rmsd <  125.25  and attr rmsd > 124.45  )) 
     ( attr rmsd < 1.953  and attr rmsd > 1.873  ) 
  6 6 0  peak  16271  volume  2.73220 ppm1  7.286  ppm2  1.913
assi (( attr rmsd < 6.593  and attr rmsd >  6.513  ) 
  and bondedto( attr rmsd <  118.39  and attr rmsd > 117.59  )) 
     ( attr rmsd < 0.577  and attr rmsd > 0.497  ) 
  6 6 0  peak  16851  volume  5.54890 ppm1  6.553  ppm2  0.537
assi (( attr rmsd < 7.648  and attr rmsd >  7.568  ) 
  and bondedto( attr rmsd <  112.995  and attr rmsd > 112.195  )) 
     ( attr rmsd < 1.427  and attr rmsd > 1.347  ) 
  6 6 0  peak  16951  volume  4.17780 ppm1  7.608  ppm2  1.387
assi (( attr rmsd < 8.478  and attr rmsd >  8.398  ) 
  and bondedto( attr rmsd <  119.469  and attr rmsd > 118.669  )) 
     ( attr rmsd < 6.691  and attr rmsd > 6.611  ) 
  6 6 0  peak  17001  volume  6.96000 ppm1  8.438  ppm2  6.651
assi (( attr rmsd < 7.637  and attr rmsd >  7.557  ) 
  and bondedto( attr rmsd <  112.07  and attr rmsd > 111.27  )) 
     ( attr rmsd < 2.266  and attr rmsd > 2.186  ) 
  6 6 0  peak  17181  volume  30.15600 ppm1  7.597  ppm2  2.226
assi (( attr rmsd < 7.035  and attr rmsd >  6.955  ) 
  and bondedto( attr rmsd <  115.77  and attr rmsd > 114.97  )) 
     ( attr rmsd < 1.687  and attr rmsd > 1.607  ) 
  6 6 0  peak  17311  volume  5.79240 ppm1  6.995  ppm2  1.647
assi (( attr rmsd < 8.422  and attr rmsd >  8.342  ) 
  and bondedto( attr rmsd <  120.934  and attr rmsd > 120.134  )) 
     ( attr rmsd < 2.875  and attr rmsd > 2.795  ) 
  6 6 0  peak  17411  volume  3.64730 ppm1  8.382  ppm2  2.835
assi (( attr rmsd < 8.416  and attr rmsd >  8.336  ) 
  and bondedto( attr rmsd <  120.934  and attr rmsd > 120.134  )) 
     ( attr rmsd < 2.154  and attr rmsd > 2.074  ) 
  6 6 0  peak  17421  volume  39.31670 ppm1  8.376  ppm2  2.114
assi (( attr rmsd < 7.36  and attr rmsd >  7.28  ) 
  and bondedto( attr rmsd <  124.171  and attr rmsd > 123.371  )) 
     ( attr rmsd < 4.533  and attr rmsd > 4.453  ) 
  6 6 0  peak  17451  volume  4.43470 ppm1  7.320  ppm2  4.493
!
!
!The last digit in peak ID is the spectrum number

ASSI {    02}
  (( segid "PROT" and resid 17  and name HA  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 02 weight  0.1000E+01 volume 326.72290 ppm1 4.179 ppm2 1.332
ASSI {    12}
  (( segid "PROT" and resid 17  and name HB#  ))
  (( segid "PROT" and resid 17  and name HA  ))
     6 6 0 peak 12 weight  0.1000E+01 volume 140.78520 ppm1 1.338 ppm2 4.177
ASSI {    22}
  (( segid "PROT" and resid 120  and name HA  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 22 weight  0.1000E+01 volume 6.89940 ppm1 4.429 ppm2 1.335
ASSI {    32}
  (( segid "PROT" and resid 17  and name HN  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 32 weight  0.1000E+01 volume 5.32060 ppm1 7.417 ppm2 1.337
ASSI {    42}
  (( segid "PROT" and resid 14  and name HA  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 42 weight  0.1000E+01 volume 44.01400 ppm1 3.789 ppm2 1.334
ASSI {    62}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 62 weight  0.1000E+01 volume 20.65850 ppm1 1.037 ppm2 1.335
ASSI {    72}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 72 weight  0.1000E+01 volume 104.56790 ppm1 0.658 ppm2 1.334
ASSI {    82}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 82 weight  0.1000E+01 volume 91.74620 ppm1 0.613 ppm2 1.336
ASSI {    92}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 92 weight  0.1000E+01 volume 50.13060 ppm1 0.506 ppm2 1.334
ASSI {   102}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 102 weight  0.1000E+01 volume 22.66430 ppm1 0.354 ppm2 1.335
ASSI {   112}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 112 weight  0.1000E+01 volume 24.07720 ppm1 0.249 ppm2 1.336
ASSI {   122}
  (( segid "PROT" and resid 116  and name HG2#  ))
  (( segid "PROT" and resid 17  and name HA  ))
     6 6 0 peak 122 weight  0.1000E+01 volume 7.73870 ppm1 0.775 ppm2 4.175
ASSI {   132}
  (( segid "PROT" and resid 88  and name HA  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 132 weight  0.1000E+01 volume 136.71339 ppm1 4.397 ppm2 1.749
ASSI {   142}
  (( segid "PROT" and resid 88  and name HB#  ))
  (( segid "PROT" and resid 88  and name HA  ))
     6 6 0 peak 142 weight  0.1000E+01 volume 73.69680 ppm1 1.752 ppm2 4.400
ASSI {   152}
  (( segid "PROT" and resid 85  and name HA  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 152 weight  0.1000E+01 volume 23.80760 ppm1 4.182 ppm2 1.744
ASSI {   162}
  (( segid "PROT" and resid 102  and name HA  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 162 weight  0.1000E+01 volume 10.28500 ppm1 3.240 ppm2 1.744
ASSI {   172}
  (( segid "PROT" and resid 102  and name HB1  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 172 weight  0.1000E+01 volume 12.68080 ppm1 3.049 ppm2 1.746
ASSI {   182}
  (( segid "PROT" and resid 35  and name HZ  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 182 weight  0.1000E+01 volume 21.31700 ppm1 7.031 ppm2 1.747
ASSI {   192}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 192 weight  0.1000E+01 volume 93.03940 ppm1 7.352 ppm2 1.743
ASSI {   202}
  (( segid "PROT" and resid 24  and name HA  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 202 weight  0.1000E+01 volume 309.89890 ppm1 3.950 ppm2 1.410
ASSI {   212}
  (( segid "PROT" and resid 21  and name HA  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 212 weight  0.1000E+01 volume 131.03461 ppm1 4.145 ppm2 1.410
ASSI {   222}
  (( segid "PROT" and resid 112  and name HG1  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 222 weight  0.1000E+01 volume 56.11570 ppm1 2.498 ppm2 1.410
ASSI {   242}
  (( segid "PROT" and resid 112  and name HG2  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 242 weight  0.1000E+01 volume 144.83090 ppm1 2.018 ppm2 1.413
ASSI {   252}
  (( segid "PROT" and resid 24  and name HB#  ))
  (( segid "PROT" and resid 24  and name HA  ))
     6 6 0 peak 252 weight  0.1000E+01 volume 186.23630 ppm1 1.414 ppm2 3.949
ASSI {   262}
  (( segid "PROT" and resid 27  and name HD1  ))
  (( segid "PROT" and resid 24  and name HA  ))
     6 6 0 peak 262 weight  0.1000E+01 volume 8.24520 ppm1 3.192 ppm2 3.951
ASSI {   272}
  (( segid "PROT" and resid 106  and name HA  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 272 weight  0.1000E+01 volume 38.24440 ppm1 3.423 ppm2 0.919
ASSI {   282}
  (( segid "PROT" and resid 106  and name HB#  ))
  (( segid "PROT" and resid 106  and name HA  ))
     6 6 0 peak 282 weight  0.1000E+01 volume 63.27150 ppm1 0.912 ppm2 3.423
ASSI {   292}
  (( segid "PROT" and resid 107  and name HA  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 292 weight  0.1000E+01 volume 27.60630 ppm1 4.120 ppm2 0.919
ASSI {   302}
  (( segid "PROT" and resid 103  and name HA  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 302 weight  0.1000E+01 volume 60.60420 ppm1 4.453 ppm2 0.921
ASSI {   312}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 312 weight  0.1000E+01 volume 59.87620 ppm1 6.048 ppm2 0.919
ASSI {   322}
  (( segid "PROT" and resid 89  and name HH2  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 322 weight  0.1000E+01 volume 112.91640 ppm1 6.958 ppm2 0.921
ASSI {   332}
  (( segid "PROT" and resid 89  and name HZ3  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 332 weight  0.1000E+01 volume 20.83740 ppm1 7.250 ppm2 0.916
ASSI {   342}
  (( segid "PROT" and resid 82  and name HZ3  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 342 weight  0.1000E+01 volume 62.75260 ppm1 7.485 ppm2 0.921
ASSI {   352}
  (( segid "PROT" and resid 82  and name HZ2  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 352 weight  0.1000E+01 volume 10.68250 ppm1 7.719 ppm2 0.916
ASSI {   362}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 106  and name HA  ))
     6 6 0 peak 362 weight  0.1000E+01 volume 50.90580 ppm1 6.057 ppm2 3.425
ASSI {   372}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 106  and name HA  ))
     6 6 0 peak 372 weight  0.1000E+01 volume 5.77540 ppm1 7.035 ppm2 3.425
ASSI {   382}
  (( segid "PROT" and resid 8  and name HB  ))
  (( segid "PROT" and resid 8  and name HA  ))
     6 6 0 peak 382 weight  0.1000E+01 volume 83.37790 ppm1 1.742 ppm2 4.283
ASSI {   392}
  (( segid "PROT" and resid 8  and name HG11  ))
  (( segid "PROT" and resid 8  and name HA  ))
     6 6 0 peak 392 weight  0.1000E+01 volume 22.81200 ppm1 1.433 ppm2 4.271
ASSI {   402}
  (( segid "PROT" and resid 8  and name HG12  ))
  (( segid "PROT" and resid 8  and name HA  ))
     6 6 0 peak 402 weight  0.1000E+01 volume 43.53360 ppm1 1.137 ppm2 4.279
ASSI {   412}
  (( segid "PROT" and resid 8  and name HG2#  ))
  (( segid "PROT" and resid 8  and name HA  ))
     6 6 0 peak 412 weight  0.1000E+01 volume 12.41660 ppm1 0.879 ppm2 4.276
ASSI {   422}
  (( segid "PROT" and resid 8  and name HD1#  ))
  (( segid "PROT" and resid 8  and name HA  ))
     6 6 0 peak 422 weight  0.1000E+01 volume 23.82380 ppm1 0.829 ppm2 4.276
ASSI {   432}
  (( segid "PROT" and resid 9  and name HD1  ))
  (( segid "PROT" and resid 8  and name HA  ))
     6 6 0 peak 432 weight  0.1000E+01 volume 13.58600 ppm1 7.333 ppm2 4.281
ASSI {   442}
  (( segid "PROT" and resid 8  and name HA  ))
  (( segid "PROT" and resid 8  and name HB  ))
     6 6 0 peak 442 weight  0.1000E+01 volume 55.99740 ppm1 4.278 ppm2 1.739
ASSI {   452}
  (( segid "PROT" and resid 8  and name HG11  ))
  (( segid "PROT" and resid 8  and name HB  ))
     6 6 0 peak 452 weight  0.1000E+01 volume 55.48710 ppm1 1.433 ppm2 1.739
ASSI {   462}
  (( segid "PROT" and resid 8  and name HG12  ))
  (( segid "PROT" and resid 8  and name HB  ))
     6 6 0 peak 462 weight  0.1000E+01 volume 60.14330 ppm1 1.138 ppm2 1.732
ASSI {   472}
  (( segid "PROT" and resid 8  and name HG2#  ))
  (( segid "PROT" and resid 8  and name HB  ))
     6 6 0 peak 472 weight  0.1000E+01 volume 72.58460 ppm1 0.874 ppm2 1.736
ASSI {   482}
  (( segid "PROT" and resid 8  and name HA  ))
  (( segid "PROT" and resid 8  and name HG11  ))
     6 6 0 peak 482 weight  0.1000E+01 volume 28.55280 ppm1 4.277 ppm2 1.434
ASSI {   492}
  (( segid "PROT" and resid 8  and name HA  ))
  (( segid "PROT" and resid 8  and name HG12  ))
     6 6 0 peak 492 weight  0.1000E+01 volume 50.97310 ppm1 4.276 ppm2 1.134
ASSI {   502}
  (( segid "PROT" and resid 8  and name HB  ))
  (( segid "PROT" and resid 8  and name HG12  ))
     6 6 0 peak 502 weight  0.1000E+01 volume 205.07420 ppm1 1.744 ppm2 1.138
ASSI {   512}
  (( segid "PROT" and resid 8  and name HB  ))
  (( segid "PROT" and resid 8  and name HG11  ))
     6 6 0 peak 512 weight  0.1000E+01 volume 299.02319 ppm1 1.741 ppm2 1.434
ASSI {   522}
  (( segid "PROT" and resid 8  and name HG11  ))
  (( segid "PROT" and resid 8  and name HG12  ))
     6 6 0 peak 522 weight  0.1000E+01 volume 576.40472 ppm1 1.437 ppm2 1.143
ASSI {   532}
  (( segid "PROT" and resid 8  and name HG12  ))
  (( segid "PROT" and resid 8  and name HG11  ))
     6 6 0 peak 532 weight  0.1000E+01 volume 398.45599 ppm1 1.136 ppm2 1.428
ASSI {   542}
  (( segid "PROT" and resid 8  and name HD1#  ))
  (( segid "PROT" and resid 8  and name HG12  ))
     6 6 0 peak 542 weight  0.1000E+01 volume 255.07111 ppm1 0.828 ppm2 1.130
ASSI {   552}
  (( segid "PROT" and resid 8  and name HB  ))
  (( segid "PROT" and resid 8  and name HG2#  ))
     6 6 0 peak 552 weight  0.1000E+01 volume 303.00229 ppm1 1.741 ppm2 0.857
ASSI {   562}
  (( segid "PROT" and resid 8  and name HA  ))
  (( segid "PROT" and resid 8  and name HG2#  ))
     6 6 0 peak 562 weight  0.1000E+01 volume 191.39830 ppm1 4.276 ppm2 0.856
ASSI {   572}
  (( segid "PROT" and resid 8  and name HG11  ))
  (( segid "PROT" and resid 8  and name HG2#  ))
     6 6 0 peak 572 weight  0.1000E+01 volume 73.42690 ppm1 1.434 ppm2 0.857
ASSI {   582}
  (( segid "PROT" and resid 8  and name HG12  ))
  (( segid "PROT" and resid 8  and name HG2#  ))
     6 6 0 peak 582 weight  0.1000E+01 volume 80.59850 ppm1 1.140 ppm2 0.856
ASSI {   592}
  (( segid "PROT" and resid 8  and name HA  ))
  (( segid "PROT" and resid 8  and name HD1#  ))
     6 6 0 peak 592 weight  0.1000E+01 volume 79.87710 ppm1 4.274 ppm2 0.823
ASSI {   602}
  (( segid "PROT" and resid 8  and name HB  ))
  (( segid "PROT" and resid 8  and name HD1#  ))
     6 6 0 peak 602 weight  0.1000E+01 volume 80.47540 ppm1 1.740 ppm2 0.827
ASSI {   612}
  (( segid "PROT" and resid 8  and name HG11  ))
  (( segid "PROT" and resid 8  and name HD1#  ))
     6 6 0 peak 612 weight  0.1000E+01 volume 210.87660 ppm1 1.433 ppm2 0.829
ASSI {   622}
  (( segid "PROT" and resid 8  and name HG12  ))
  (( segid "PROT" and resid 8  and name HD1#  ))
     6 6 0 peak 622 weight  0.1000E+01 volume 168.70399 ppm1 1.140 ppm2 0.829
ASSI {   632}
  (( segid "PROT" and resid 8  and name HD1#  ))
  (( segid "PROT" and resid 8  and name HB  ))
     6 6 0 peak 632 weight  0.1000E+01 volume 75.33220 ppm1 0.837 ppm2 1.735
ASSI {   642}
  (( segid "PROT" and resid 52  and name HA  ))
  (( segid "PROT" and resid 52  and name HB  ))
     6 6 0 peak 642 weight  0.1000E+01 volume 30.88720 ppm1 3.995 ppm2 1.829
ASSI {   652}
  (( segid "PROT" and resid 52  and name HG2#  ))
  (( segid "PROT" and resid 52  and name HB  ))
     6 6 0 peak 652 weight  0.1000E+01 volume 62.62850 ppm1 0.999 ppm2 1.827
ASSI {   662}
  (( segid "PROT" and resid 52  and name HG12  ))
  (( segid "PROT" and resid 52  and name HB  ))
     6 6 0 peak 662 weight  0.1000E+01 volume 19.02160 ppm1 1.401 ppm2 1.822
ASSI {   672}
  (( segid "PROT" and resid 52  and name HG11  ))
  (( segid "PROT" and resid 52  and name HB  ))
     6 6 0 peak 672 weight  0.1000E+01 volume 15.41710 ppm1 1.561 ppm2 1.830
ASSI {   682}
  (( segid "PROT" and resid 49  and name HA  ))
  (( segid "PROT" and resid 52  and name HB  ))
     6 6 0 peak 682 weight  0.1000E+01 volume 11.66770 ppm1 3.583 ppm2 1.823
ASSI {   692}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "PROT" and resid 52  and name HB  ))
     6 6 0 peak 692 weight  0.1000E+01 volume 10.95210 ppm1 6.707 ppm2 1.828
ASSI {   702}
  (( segid "PROT" and resid 53  and name HB  ))
  (( segid "PROT" and resid 53  and name HA  ))
     6 6 0 peak 702 weight  0.1000E+01 volume 64.96590 ppm1 1.000 ppm2 3.529
ASSI {   712}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 53  and name HA  ))
     6 6 0 peak 712 weight  0.1000E+01 volume 71.79620 ppm1 0.607 ppm2 3.531
ASSI {   722}
  (( segid "PROT" and resid 53  and name HA  ))
  (( segid "PROT" and resid 53  and name HB  ))
     6 6 0 peak 722 weight  0.1000E+01 volume 25.51570 ppm1 3.536 ppm2 1.025
ASSI {   732}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 53  and name HB  ))
     6 6 0 peak 732 weight  0.1000E+01 volume 82.71650 ppm1 0.611 ppm2 1.024
ASSI {   742}
  (( segid "PROT" and resid 53  and name HA  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 742 weight  0.1000E+01 volume 109.40060 ppm1 3.535 ppm2 0.445
ASSI {   752}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 752 weight  0.1000E+01 volume 17.75830 ppm1 6.939 ppm2 0.439
ASSI {   762}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 762 weight  0.1000E+01 volume 64.42990 ppm1 6.712 ppm2 0.502
ASSI {   772}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 772 weight  0.1000E+01 volume 40.75220 ppm1 6.612 ppm2 0.504
ASSI {   782}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 782 weight  0.1000E+01 volume 50.97420 ppm1 6.150 ppm2 0.442
ASSI {   792}
  (( segid "PROT" and resid 18  and name HA  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 792 weight  0.1000E+01 volume 150.75549 ppm1 4.191 ppm2 0.501
ASSI {   802}
  (( segid "PROT" and resid 87  and name HB1  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 802 weight  0.1000E+01 volume 24.62930 ppm1 3.076 ppm2 0.440
ASSI {   812}
  (( segid "PROT" and resid 53  and name HB  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 812 weight  0.1000E+01 volume 154.12959 ppm1 1.009 ppm2 0.445
ASSI {   822}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 822 weight  0.1000E+01 volume 185.32460 ppm1 0.233 ppm2 0.504
ASSI {   832}
  (( segid "PROT" and resid 53  and name HA  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 832 weight  0.1000E+01 volume 86.23680 ppm1 3.536 ppm2 0.608
ASSI {   842}
  (( segid "PROT" and resid 50  and name HD1  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 842 weight  0.1000E+01 volume 18.79810 ppm1 7.409 ppm2 0.608
ASSI {   852}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 852 weight  0.1000E+01 volume 48.38800 ppm1 6.149 ppm2 0.608
ASSI {   862}
  (( segid "PROT" and resid 87  and name HA  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 862 weight  0.1000E+01 volume 12.66080 ppm1 4.455 ppm2 0.608
ASSI {   872}
  (( segid "PROT" and resid 87  and name HB1  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 872 weight  0.1000E+01 volume 22.47610 ppm1 3.081 ppm2 0.607
ASSI {   882}
  (( segid "PROT" and resid 87  and name HB2  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 882 weight  0.1000E+01 volume 38.73520 ppm1 2.749 ppm2 0.609
ASSI {   892}
  (( segid "PROT" and resid 53  and name HB  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 892 weight  0.1000E+01 volume 131.06000 ppm1 1.022 ppm2 0.608
ASSI {   902}
  (( segid "PROT" and resid 39  and name HA  ))
  (( segid "PROT" and resid 39  and name HG1#  ))
     6 6 0 peak 902 weight  0.1000E+01 volume 108.76930 ppm1 3.204 ppm2 0.741
ASSI {   912}
  (( segid "PROT" and resid 39  and name HB  ))
  (( segid "PROT" and resid 39  and name HG1#  ))
     6 6 0 peak 912 weight  0.1000E+01 volume 199.89951 ppm1 1.471 ppm2 0.734
ASSI {   922}
  (( segid "PROT" and resid 39  and name HB  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 922 weight  0.1000E+01 volume 139.80350 ppm1 1.470 ppm2 -0.369
ASSI {   932}
  (( segid "PROT" and resid 39  and name HG1#  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 932 weight  0.1000E+01 volume 315.98459 ppm1 0.740 ppm2 -0.370
ASSI {   942}
  (( segid "PROT" and resid 41  and name HG2  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 942 weight  0.1000E+01 volume 7.21210 ppm1 1.097 ppm2 -0.371
ASSI {   952}
  (( segid "PROT" and resid 41  and name HG1  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 952 weight  0.1000E+01 volume 23.64400 ppm1 1.574 ppm2 -0.367
ASSI {   962}
  (( segid "PROT" and resid 39  and name HA  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 962 weight  0.1000E+01 volume 47.47680 ppm1 3.205 ppm2 -0.374
ASSI {   972}
  (( segid "PROT" and resid 40  and name HA  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 972 weight  0.1000E+01 volume 8.58790 ppm1 5.084 ppm2 -0.368
ASSI {   982}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 982 weight  0.1000E+01 volume 21.31620 ppm1 6.152 ppm2 -0.368
ASSI {  1002}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 116  and name HA  ))
     6 6 0 peak 1002 weight  0.1000E+01 volume 93.94220 ppm1 1.041 ppm2 3.676
ASSI {  1012}
  (( segid "PROT" and resid 116  and name HG2#  ))
  (( segid "PROT" and resid 116  and name HA  ))
     6 6 0 peak 1012 weight  0.1000E+01 volume 78.69610 ppm1 0.779 ppm2 3.675
ASSI {  1022}
  (( segid "PROT" and resid 116  and name HB  ))
  (( segid "PROT" and resid 116  and name HA  ))
     6 6 0 peak 1022 weight  0.1000E+01 volume 29.33780 ppm1 2.068 ppm2 3.678
ASSI {  1032}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 28  and name HG2  ))
     6 6 0 peak 1032 weight  0.1000E+01 volume 14.36370 ppm1 0.570 ppm2 2.034
ASSI {  1042}
  (( segid "PROT" and resid 116  and name HG2#  ))
  (( segid "PROT" and resid 116  and name HB  ))
     6 6 0 peak 1042 weight  0.1000E+01 volume 94.92040 ppm1 0.776 ppm2 2.067
ASSI {  1052}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 116  and name HB  ))
     6 6 0 peak 1052 weight  0.1000E+01 volume 108.15450 ppm1 1.040 ppm2 2.069
ASSI {  1062}
  (( segid "PROT" and resid 100  and name HG2  ))
  (( segid "PROT" and resid 100  and name HB1  ))
     6 6 0 peak 1062 weight  0.1000E+01 volume 248.84160 ppm1 1.616 ppm2 2.034
ASSI {  1072}
  (( segid "PROT" and resid 100  and name HG1  ))
  (( segid "PROT" and resid 100  and name HB1  ))
     6 6 0 peak 1072 weight  0.1000E+01 volume 224.21500 ppm1 1.710 ppm2 2.030
ASSI {  1082}
  (( segid "PROT" and resid 118  and name HG2  ))
  (( segid "PROT" and resid 116  and name HB  ))
     6 6 0 peak 1082 weight  0.1000E+01 volume 256.02802 ppm1 2.441 ppm2 2.039
ASSI {  1092}
  (( segid "PROT" and resid 28  and name HG1  ))
  (( segid "PROT" and resid 28  and name HG2  ))
     6 6 0 peak 1092 weight  0.1000E+01 volume 62.95610 ppm1 2.799 ppm2 2.034
ASSI {  1102}
  (( segid "PROT" and resid 116  and name HA  ))
  (( segid "PROT" and resid 116  and name HB  ))
     6 6 0 peak 1102 weight  0.1000E+01 volume 84.90530 ppm1 3.658 ppm2 2.051
ASSI {  1112}
  (( segid "PROT" and resid 113  and name HA  ))
  (( segid "PROT" and resid 116  and name HB  ))
     6 6 0 peak 1112 weight  0.1000E+01 volume 89.66320 ppm1 4.074 ppm2 2.040
ASSI {  1122}
  (( segid "PROT" and resid 11  and name HA  ))
  (( segid "PROT" and resid 11  and name HB2  ))
     6 6 0 peak 1122 weight  0.1000E+01 volume 131.81660 ppm1 4.233 ppm2 2.035
ASSI {  1132}
  (( segid "PROT" and resid 116  and name HA  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 1132 weight  0.1000E+01 volume 119.36390 ppm1 3.680 ppm2 0.770
ASSI {  1142}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 1142 weight  0.1000E+01 volume 3.68070 ppm1 6.610 ppm2 0.771
ASSI {  1152}
  (( segid "PROT" and resid 117  and name HA  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 1152 weight  0.1000E+01 volume 8.09900 ppm1 4.309 ppm2 0.772
ASSI {  1162}
  (( segid "PROT" and resid 18  and name HA  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 1162 weight  0.1000E+01 volume 87.43320 ppm1 4.186 ppm2 0.776
ASSI {  1172}
  (( segid "PROT" and resid 116  and name HB  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 1172 weight  0.1000E+01 volume 53.55810 ppm1 2.069 ppm2 0.771
ASSI {  1182}
  (( segid "PROT" and resid 120  and name HG  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 1182 weight  0.1000E+01 volume 50.60910 ppm1 1.784 ppm2 0.769
ASSI {  1192}
  (( segid "PROT" and resid 18  and name HG  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 1192 weight  0.1000E+01 volume 30.96600 ppm1 1.565 ppm2 0.766
ASSI {  1202}
  (( segid "PROT" and resid 17  and name HB#  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 1202 weight  0.1000E+01 volume 144.27240 ppm1 1.310 ppm2 0.776
ASSI {  1212}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 1212 weight  0.1000E+01 volume 201.40849 ppm1 1.036 ppm2 0.780
ASSI {  1222}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 1222 weight  0.1000E+01 volume 112.37040 ppm1 0.505 ppm2 0.774
ASSI {  1232}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 1232 weight  0.1000E+01 volume 10.24130 ppm1 0.237 ppm2 0.767
ASSI {  1242}
  (( segid "PROT" and resid 116  and name HG2#  ))
  (( segid "PROT" and resid 116  and name HG1#  ))
     6 6 0 peak 1242 weight  0.1000E+01 volume 200.55409 ppm1 0.774 ppm2 1.037
ASSI {  1252}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 116  and name HG1#  ))
     6 6 0 peak 1252 weight  0.1000E+01 volume 32.86770 ppm1 0.507 ppm2 1.031
ASSI {  1262}
  (( segid "PROT" and resid 83  and name HG  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 1262 weight  0.1000E+01 volume 226.13240 ppm1 1.406 ppm2 1.097
ASSI {  1272}
  (( segid "PROT" and resid 116  and name HB  ))
  (( segid "PROT" and resid 116  and name HG1#  ))
     6 6 0 peak 1272 weight  0.1000E+01 volume 213.73801 ppm1 2.064 ppm2 1.032
ASSI {  1282}
  (( segid "PROT" and resid 116  and name HA  ))
  (( segid "PROT" and resid 116  and name HG1#  ))
     6 6 0 peak 1282 weight  0.1000E+01 volume 189.18620 ppm1 3.680 ppm2 1.029
ASSI {  1292}
  (( segid "PROT" and resid 83  and name HA  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 1292 weight  0.1000E+01 volume 105.60280 ppm1 4.232 ppm2 1.102
ASSI {  1302}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 108  and name HA  ))
     6 6 0 peak 1302 weight  0.1000E+01 volume 44.18870 ppm1 0.959 ppm2 3.634
ASSI {  1312}
  (( segid "PROT" and resid 108  and name HG2#  ))
  (( segid "PROT" and resid 108  and name HA  ))
     6 6 0 peak 1312 weight  0.1000E+01 volume 92.79360 ppm1 0.869 ppm2 3.636
ASSI {  1322}
  (( segid "PROT" and resid 108  and name HB  ))
  (( segid "PROT" and resid 108  and name HA  ))
     6 6 0 peak 1322 weight  0.1000E+01 volume 54.47060 ppm1 2.173 ppm2 3.642
ASSI {  1332}
  (( segid "PROT" and resid 111  and name HB1  ))
  (( segid "PROT" and resid 108  and name HA  ))
     6 6 0 peak 1332 weight  0.1000E+01 volume 15.95010 ppm1 2.280 ppm2 3.646
ASSI {  1342}
  (( segid "PROT" and resid 111  and name HG2  ))
  (( segid "PROT" and resid 108  and name HA  ))
     6 6 0 peak 1342 weight  0.1000E+01 volume 7.70040 ppm1 2.440 ppm2 3.639
ASSI {  1352}
  (( segid "PROT" and resid 111  and name HG1  ))
  (( segid "PROT" and resid 108  and name HA  ))
     6 6 0 peak 1352 weight  0.1000E+01 volume 7.46140 ppm1 2.518 ppm2 3.638
ASSI {  1362}
  (( segid "PROT" and resid 108  and name HA  ))
  (( segid "PROT" and resid 108  and name HB  ))
     6 6 0 peak 1362 weight  0.1000E+01 volume 84.95850 ppm1 3.637 ppm2 2.157
ASSI {  1372}
  (( segid "PROT" and resid 75  and name HD1  ))
  (( segid "PROT" and resid 73  and name HB1  ))
     6 6 0 peak 1372 weight  0.1000E+01 volume 7.53360 ppm1 7.472 ppm2 2.182
ASSI {  1382}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 108  and name HB  ))
     6 6 0 peak 1382 weight  0.1000E+01 volume 125.84800 ppm1 0.957 ppm2 2.166
ASSI {  1392}
  (( segid "PROT" and resid 108  and name HG2#  ))
  (( segid "PROT" and resid 108  and name HB  ))
     6 6 0 peak 1392 weight  0.1000E+01 volume 160.23050 ppm1 0.874 ppm2 2.157
ASSI {  1402}
  (( segid "PROT" and resid 108  and name HB  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 1402 weight  0.1000E+01 volume 234.80780 ppm1 2.159 ppm2 0.957
ASSI {  1412}
  (( segid "PROT" and resid 108  and name HA  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 1412 weight  0.1000E+01 volume 344.11609 ppm1 3.640 ppm2 0.961
ASSI {  1422}
  (( segid "PROT" and resid 108  and name HA  ))
  (( segid "PROT" and resid 108  and name HG2#  ))
     6 6 0 peak 1422 weight  0.1000E+01 volume 130.96660 ppm1 3.636 ppm2 0.869
ASSI {  1432}
  (( segid "PROT" and resid 112  and name HG1  ))
  (( segid "PROT" and resid 108  and name HG2#  ))
     6 6 0 peak 1432 weight  0.1000E+01 volume 4.62730 ppm1 2.502 ppm2 0.869
ASSI {  1442}
  (( segid "PROT" and resid 107  and name HB1  ))
  (( segid "PROT" and resid 108  and name HG2#  ))
     6 6 0 peak 1442 weight  0.1000E+01 volume 5.86030 ppm1 2.282 ppm2 0.867
ASSI {  1452}
  (( segid "PROT" and resid 108  and name HB  ))
  (( segid "PROT" and resid 108  and name HG2#  ))
     6 6 0 peak 1452 weight  0.1000E+01 volume 115.80970 ppm1 2.158 ppm2 0.866
ASSI {  1462}
  (( segid "PROT" and resid 95  and name HA  ))
  (( segid "PROT" and resid 95  and name HB  ))
     6 6 0 peak 1462 weight  0.1000E+01 volume 91.62050 ppm1 4.100 ppm2 4.441
ASSI {  1472}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 113  and name HA  ))
     6 6 0 peak 1472 weight  0.1000E+01 volume 89.40790 ppm1 0.721 ppm2 4.092
ASSI {  1482}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 113  and name HA  ))
     6 6 0 peak 1482 weight  0.1000E+01 volume 106.11620 ppm1 0.887 ppm2 4.100
ASSI {  1492}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 113  and name HA  ))
     6 6 0 peak 1492 weight  0.1000E+01 volume 16.86400 ppm1 1.038 ppm2 4.091
ASSI {  1502}
  (( segid "PROT" and resid 21  and name HG2#  ))
  (( segid "PROT" and resid 113  and name HA  ))
     6 6 0 peak 1502 weight  0.1000E+01 volume 40.45630 ppm1 1.302 ppm2 4.088
ASSI {  1512}
  (( segid "PROT" and resid 113  and name HA  ))
  (( segid "PROT" and resid 113  and name HB  ))
     6 6 0 peak 1512 weight  0.1000E+01 volume 28.79750 ppm1 4.093 ppm2 0.714
ASSI {  1522}
  (( segid "PROT" and resid 113  and name HA  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 1522 weight  0.1000E+01 volume 127.10770 ppm1 4.092 ppm2 0.887
ASSI {  1532}
  (( segid "PROT" and resid 113  and name HG11  ))
  (( segid "PROT" and resid 113  and name HA  ))
     6 6 0 peak 1532 weight  0.1000E+01 volume 27.61300 ppm1 1.211 ppm2 4.090
ASSI {  1542}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 1542 weight  0.1000E+01 volume 24.43540 ppm1 0.355 ppm2 3.792
ASSI {  1552}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 1552 weight  0.1000E+01 volume 44.36870 ppm1 0.269 ppm2 3.789
ASSI {  1562}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 1562 weight  0.1000E+01 volume 7.17490 ppm1 0.657 ppm2 3.793
ASSI {  1572}
  (( segid "PROT" and resid 14  and name HB2  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 1572 weight  0.1000E+01 volume 49.42990 ppm1 1.321 ppm2 3.786
ASSI {  1582}
  (( segid "PROT" and resid 14  and name HG  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 1582 weight  0.1000E+01 volume 29.86880 ppm1 1.388 ppm2 3.783
ASSI {  1592}
  (( segid "PROT" and resid 14  and name HB1  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 1592 weight  0.1000E+01 volume 60.01140 ppm1 1.658 ppm2 3.793
ASSI {  1602}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 14  and name HB1  ))
     6 6 0 peak 1602 weight  0.1000E+01 volume 41.00990 ppm1 0.354 ppm2 1.644
ASSI {  1612}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 14  and name HB2  ))
     6 6 0 peak 1612 weight  0.1000E+01 volume 15.96660 ppm1 0.353 ppm2 1.310
ASSI {  1622}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 14  and name HB1  ))
     6 6 0 peak 1622 weight  0.1000E+01 volume 20.91850 ppm1 0.268 ppm2 1.651
ASSI {  1632}
  (( segid "PROT" and resid 14  and name HB2  ))
  (( segid "PROT" and resid 14  and name HB1  ))
     6 6 0 peak 1632 weight  0.1000E+01 volume 85.75330 ppm1 1.304 ppm2 1.657
ASSI {  1642}
  (( segid "PROT" and resid 14  and name HG  ))
  (( segid "PROT" and resid 14  and name HB2  ))
     6 6 0 peak 1642 weight  0.1000E+01 volume 25.45920 ppm1 1.401 ppm2 1.295
ASSI {  1652}
  (( segid "PROT" and resid 14  and name HG  ))
  (( segid "PROT" and resid 14  and name HB1  ))
     6 6 0 peak 1652 weight  0.1000E+01 volume 36.95480 ppm1 1.400 ppm2 1.653
ASSI {  1662}
  (( segid "PROT" and resid 14  and name HB1  ))
  (( segid "PROT" and resid 14  and name HB2  ))
     6 6 0 peak 1662 weight  0.1000E+01 volume 112.79770 ppm1 1.655 ppm2 1.304
ASSI {  1672}
  (( segid "PROT" and resid 14  and name HA  ))
  (( segid "PROT" and resid 14  and name HB2  ))
     6 6 0 peak 1672 weight  0.1000E+01 volume 63.79600 ppm1 3.787 ppm2 1.319
ASSI {  1682}
  (( segid "PROT" and resid 14  and name HA  ))
  (( segid "PROT" and resid 14  and name HB1  ))
     6 6 0 peak 1682 weight  0.1000E+01 volume 40.22970 ppm1 3.789 ppm2 1.653
ASSI {  1692}
  (( segid "PROT" and resid 11  and name HA  ))
  (( segid "PROT" and resid 14  and name HB1  ))
     6 6 0 peak 1692 weight  0.1000E+01 volume 10.63440 ppm1 4.232 ppm2 1.661
ASSI {  1702}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 14  and name HG  ))
     6 6 0 peak 1702 weight  0.1000E+01 volume 89.43150 ppm1 0.353 ppm2 1.399
ASSI {  1712}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 14  and name HG  ))
     6 6 0 peak 1712 weight  0.1000E+01 volume 48.24370 ppm1 0.262 ppm2 1.401
ASSI {  1722}
  (( segid "PROT" and resid 14  and name HA  ))
  (( segid "PROT" and resid 14  and name HG  ))
     6 6 0 peak 1722 weight  0.1000E+01 volume 21.08080 ppm1 3.790 ppm2 1.402
ASSI {  1732}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 1732 weight  0.1000E+01 volume 49.40220 ppm1 7.365 ppm2 0.390
ASSI {  1742}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 1742 weight  0.1000E+01 volume 46.10010 ppm1 6.059 ppm2 0.394
ASSI {  1752}
  (( segid "PROT" and resid 14  and name HA  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 1752 weight  0.1000E+01 volume 206.81509 ppm1 3.784 ppm2 0.268
ASSI {  1762}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 1762 weight  0.1000E+01 volume 157.07230 ppm1 0.610 ppm2 0.265
ASSI {  1772}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 1772 weight  0.1000E+01 volume 36.74140 ppm1 0.658 ppm2 0.268
ASSI {  1782}
  (( segid "PROT" and resid 14  and name HG  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 1782 weight  0.1000E+01 volume 156.77271 ppm1 1.402 ppm2 0.265
ASSI {  1792}
  (( segid "PROT" and resid 14  and name HB2  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 1792 weight  0.1000E+01 volume 136.64410 ppm1 1.311 ppm2 0.270
ASSI {  1802}
  (( segid "PROT" and resid 14  and name HB1  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 1802 weight  0.1000E+01 volume 65.06140 ppm1 1.653 ppm2 0.266
ASSI {  1812}
  (( segid "PROT" and resid 77  and name HB2  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 1812 weight  0.1000E+01 volume 122.72260 ppm1 1.776 ppm2 0.231
ASSI {  1822}
  (( segid "PROT" and resid 74  and name HD2  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 1822 weight  0.1000E+01 volume 48.86510 ppm1 2.764 ppm2 0.265
ASSI {  1832}
  (( segid "PROT" and resid 9  and name HB1  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 1832 weight  0.1000E+01 volume 57.34080 ppm1 2.865 ppm2 0.266
ASSI {  1842}
  (( segid "PROT" and resid 72  and name HA  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 1842 weight  0.1000E+01 volume 16.11780 ppm1 4.292 ppm2 0.266
ASSI {  1852}
  (( segid "PROT" and resid 73  and name HA  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 1852 weight  0.1000E+01 volume 40.65220 ppm1 4.629 ppm2 0.266
ASSI {  1862}
  (( segid "PROT" and resid 9  and name HD1  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 1862 weight  0.1000E+01 volume 10.76020 ppm1 7.329 ppm2 0.266
ASSI {  1872}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 1872 weight  0.1000E+01 volume 17.67770 ppm1 7.389 ppm2 0.265
ASSI {  1882}
  (( segid "PROT" and resid 21  and name HG2#  ))
  (( segid "PROT" and resid 21  and name HA  ))
     6 6 0 peak 1882 weight  0.1000E+01 volume 25.70330 ppm1 1.303 ppm2 4.142
ASSI {  1892}
  (( segid "PROT" and resid 24  and name HB#  ))
  (( segid "PROT" and resid 21  and name HA  ))
     6 6 0 peak 1892 weight  0.1000E+01 volume 30.09650 ppm1 1.411 ppm2 4.145
ASSI {  1902}
  (( segid "PROT" and resid 21  and name HG2#  ))
  (( segid "PROT" and resid 21  and name HB  ))
     6 6 0 peak 1902 weight  0.1000E+01 volume 61.99870 ppm1 1.301 ppm2 4.197
ASSI {  1912}
  (( segid "PROT" and resid 21  and name HB  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 1912 weight  0.1000E+01 volume 169.42410 ppm1 4.187 ppm2 1.304
ASSI {  1922}
  (( segid "PROT" and resid 21  and name HA  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 1922 weight  0.1000E+01 volume 104.10790 ppm1 4.131 ppm2 1.303
ASSI {  1932}
  (( segid "PROT" and resid 112  and name HG1  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 1932 weight  0.1000E+01 volume 17.54770 ppm1 2.499 ppm2 1.308
ASSI {  1942}
  (( segid "PROT" and resid 116  and name HB  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 1942 weight  0.1000E+01 volume 43.18980 ppm1 2.068 ppm2 1.299
ASSI {  1952}
  (( segid "PROT" and resid 112  and name HB2  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 1952 weight  0.1000E+01 volume 45.74860 ppm1 1.760 ppm2 1.303
ASSI {  1962}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 1962 weight  0.1000E+01 volume 26.21720 ppm1 0.504 ppm2 1.303
ASSI {  1972}
  (( segid "PROT" and resid 95  and name HA  ))
  (( segid "PROT" and resid 95  and name HG2#  ))
     6 6 0 peak 1972 weight  0.1000E+01 volume 152.49719 ppm1 4.102 ppm2 1.120
ASSI {  1982}
  (( segid "PROT" and resid 95  and name HB  ))
  (( segid "PROT" and resid 95  and name HG2#  ))
     6 6 0 peak 1982 weight  0.1000E+01 volume 176.49609 ppm1 4.440 ppm2 1.117
ASSI {  1992}
  (( segid "PROT" and resid 95  and name HG2#  ))
  (( segid "PROT" and resid 95  and name HB  ))
     6 6 0 peak 1992 weight  0.1000E+01 volume 91.16990 ppm1 1.118 ppm2 4.437
ASSI {  2002}
  (( segid "PROT" and resid 95  and name HB  ))
  (( segid "PROT" and resid 95  and name HA  ))
     6 6 0 peak 2002 weight  0.1000E+01 volume 90.14380 ppm1 4.440 ppm2 4.102
ASSI {  2012}
  (( segid "PROT" and resid 95  and name HG2#  ))
  (( segid "PROT" and resid 95  and name HA  ))
     6 6 0 peak 2012 weight  0.1000E+01 volume 158.24260 ppm1 1.111 ppm2 4.091
ASSI {  2022}
  (( segid "PROT" and resid 68  and name HG2#  ))
  (( segid "PROT" and resid 68  and name HB  ))
     6 6 0 peak 2022 weight  0.1000E+01 volume 40.95950 ppm1 1.227 ppm2 4.510
ASSI {  2032}
  (( segid "PROT" and resid 68  and name HG2#  ))
  (( segid "PROT" and resid 68  and name HA  ))
     6 6 0 peak 2032 weight  0.1000E+01 volume 44.34220 ppm1 1.225 ppm2 4.501
ASSI {  2042}
  (( segid "PROT" and resid 68  and name HB  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 2042 weight  0.1000E+01 volume 231.31461 ppm1 4.511 ppm2 1.225
ASSI {  2052}
  (( segid "PROT" and resid 64  and name HD1  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 2052 weight  0.1000E+01 volume 13.17220 ppm1 3.220 ppm2 1.222
ASSI {  2062}
  (( segid "PROT" and resid 67  and name HB1  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 2062 weight  0.1000E+01 volume 21.06010 ppm1 2.845 ppm2 1.226
ASSI {  2072}
  (( segid "PROT" and resid 61  and name HG2#  ))
  (( segid "PROT" and resid 61  and name HB  ))
     6 6 0 peak 2072 weight  0.1000E+01 volume 151.98930 ppm1 1.136 ppm2 4.224
ASSI {  2082}
  (( segid "PROT" and resid 61  and name HA  ))
  (( segid "PROT" and resid 61  and name HB  ))
     6 6 0 peak 2082 weight  0.1000E+01 volume 22.02180 ppm1 3.883 ppm2 4.230
ASSI {  2092}
  (( segid "PROT" and resid 61  and name HB  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 2092 weight  0.1000E+01 volume 187.27130 ppm1 4.231 ppm2 1.137
ASSI {  2102}
  (( segid "PROT" and resid 61  and name HA  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 2102 weight  0.1000E+01 volume 188.89720 ppm1 3.880 ppm2 1.132
ASSI {  2112}
  (( segid "PROT" and resid 57  and name HA  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 2112 weight  0.1000E+01 volume 4.26280 ppm1 5.068 ppm2 1.138
ASSI {  2122}
  (( segid "PROT" and resid 63  and name HB1  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 2122 weight  0.1000E+01 volume 161.26601 ppm1 1.993 ppm2 1.139
ASSI {  2132}
  (( segid "PROT" and resid 119  and name HB2  ))
  (( segid "PROT" and resid 119  and name HA  ))
     6 6 0 peak 2132 weight  0.1000E+01 volume 31.62980 ppm1 3.980 ppm2 4.434
ASSI {  2142}
  (( segid "PROT" and resid 119  and name HB1  ))
  (( segid "PROT" and resid 119  and name HA  ))
     6 6 0 peak 2142 weight  0.1000E+01 volume 98.08780 ppm1 4.029 ppm2 4.431
ASSI {  2152}
  (( segid "PROT" and resid 119  and name HA  ))
  (( segid "PROT" and resid 119  and name HB2  ))
     6 6 0 peak 2152 weight  0.1000E+01 volume 130.04190 ppm1 4.435 ppm2 3.979
ASSI {  2162}
  (( segid "PROT" and resid 119  and name HA  ))
  (( segid "PROT" and resid 119  and name HB1  ))
     6 6 0 peak 2162 weight  0.1000E+01 volume 109.23970 ppm1 4.432 ppm2 4.056
ASSI {  2172}
  (( segid "PROT" and resid 39  and name HG1#  ))
  (( segid "PROT" and resid 39  and name HA  ))
     6 6 0 peak 2172 weight  0.1000E+01 volume 152.79201 ppm1 0.739 ppm2 3.207
ASSI {  2182}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 39  and name HA  ))
     6 6 0 peak 2182 weight  0.1000E+01 volume 33.09180 ppm1 -0.356 ppm2 3.196
ASSI {  2192}
  (( segid "PROT" and resid 39  and name HB  ))
  (( segid "PROT" and resid 39  and name HA  ))
     6 6 0 peak 2192 weight  0.1000E+01 volume 32.27610 ppm1 1.472 ppm2 3.205
ASSI {  2202}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 2202 weight  0.1000E+01 volume 48.37840 ppm1 1.262 ppm2 3.067
ASSI {  2212}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 2212 weight  0.1000E+01 volume 51.20600 ppm1 1.111 ppm2 3.062
ASSI {  2222}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 2222 weight  0.1000E+01 volume 5.25770 ppm1 -1.499 ppm2 3.060
ASSI {  2232}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 2232 weight  0.1000E+01 volume 18.75270 ppm1 -0.257 ppm2 3.064
ASSI {  2242}
  (( segid "PROT" and resid 81  and name HB  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 2242 weight  0.1000E+01 volume 47.11970 ppm1 0.871 ppm2 3.062
ASSI {  2252}
  (( segid "PROT" and resid 78  and name HB  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 2252 weight  0.1000E+01 volume 12.87480 ppm1 2.274 ppm2 3.065
ASSI {  2262}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 2262 weight  0.1000E+01 volume 1.46950 ppm1 6.723 ppm2 3.060
ASSI {  2272}
  (( segid "PROT" and resid 109  and name HZ  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 2272 weight  0.1000E+01 volume 19.42420 ppm1 6.855 ppm2 3.064
ASSI {  2282}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 2282 weight  0.1000E+01 volume 7.13650 ppm1 7.199 ppm2 3.062
ASSI {  2292}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 2292 weight  0.1000E+01 volume 1.66130 ppm1 7.474 ppm2 3.071
ASSI {  2302}
  (( segid "PROT" and resid 78  and name HA  ))
  (( segid "PROT" and resid 78  and name HB  ))
     6 6 0 peak 2302 weight  0.1000E+01 volume 9.16470 ppm1 3.064 ppm2 2.277
ASSI {  2312}
  (( segid "PROT" and resid 75  and name HA  ))
  (( segid "PROT" and resid 78  and name HB  ))
     6 6 0 peak 2312 weight  0.1000E+01 volume 38.49320 ppm1 4.206 ppm2 2.273
ASSI {  2322}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 78  and name HB  ))
     6 6 0 peak 2322 weight  0.1000E+01 volume 66.00090 ppm1 1.261 ppm2 2.277
ASSI {  2332}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 78  and name HB  ))
     6 6 0 peak 2332 weight  0.1000E+01 volume 57.55440 ppm1 1.112 ppm2 2.280
ASSI {  2342}
  (( segid "PROT" and resid 78  and name HA  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 2342 weight  0.1000E+01 volume 92.29730 ppm1 3.067 ppm2 1.114
ASSI {  2352}
  (( segid "PROT" and resid 78  and name HA  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 2352 weight  0.1000E+01 volume 69.66290 ppm1 3.068 ppm2 1.262
ASSI {  2362}
  (( segid "PROT" and resid 78  and name HB  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 2362 weight  0.1000E+01 volume 178.35780 ppm1 2.271 ppm2 1.114
ASSI {  2372}
  (( segid "PROT" and resid 78  and name HB  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 2372 weight  0.1000E+01 volume 134.77161 ppm1 2.272 ppm2 1.262
ASSI {  2382}
  (( segid "PROT" and resid 82  and name HB1  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 2382 weight  0.1000E+01 volume 6.32500 ppm1 3.283 ppm2 1.256
ASSI {  2392}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 2392 weight  0.1000E+01 volume 50.24850 ppm1 6.721 ppm2 1.117
ASSI {  2402}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 2402 weight  0.1000E+01 volume 18.81290 ppm1 7.039 ppm2 1.262
ASSI {  2412}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 2412 weight  0.1000E+01 volume 6.99400 ppm1 7.041 ppm2 1.115
ASSI {  2422}
  (( segid "PROT" and resid 109  and name HZ  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 2422 weight  0.1000E+01 volume 17.50460 ppm1 6.851 ppm2 1.110
ASSI {  2432}
  (( segid "PROT" and resid 109  and name HZ  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 2432 weight  0.1000E+01 volume 22.40130 ppm1 6.855 ppm2 1.259
ASSI {  2442}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 2442 weight  0.1000E+01 volume 75.83130 ppm1 7.188 ppm2 1.259
ASSI {  2452}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 2452 weight  0.1000E+01 volume 51.62180 ppm1 7.191 ppm2 1.117
ASSI {  2462}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 2462 weight  0.1000E+01 volume 179.66679 ppm1 7.479 ppm2 1.259
ASSI {  2472}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 81  and name HA  ))
     6 6 0 peak 2472 weight  0.1000E+01 volume 36.35320 ppm1 -0.257 ppm2 2.473
ASSI {  2482}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 81  and name HA  ))
     6 6 0 peak 2482 weight  0.1000E+01 volume 31.94750 ppm1 -1.494 ppm2 2.473
ASSI {  2492}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 81  and name HA  ))
     6 6 0 peak 2492 weight  0.1000E+01 volume 24.04270 ppm1 0.345 ppm2 2.473
ASSI {  2502}
  (( segid "PROT" and resid 81  and name HB  ))
  (( segid "PROT" and resid 81  and name HA  ))
     6 6 0 peak 2502 weight  0.1000E+01 volume 15.61880 ppm1 0.876 ppm2 2.478
ASSI {  2512}
  (( segid "PROT" and resid 84  and name HE#  ))
  (( segid "PROT" and resid 81  and name HA  ))
     6 6 0 peak 2512 weight  0.1000E+01 volume 13.62240 ppm1 1.199 ppm2 2.478
ASSI {  2522}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 81  and name HB  ))
     6 6 0 peak 2522 weight  0.1000E+01 volume 59.71540 ppm1 -0.256 ppm2 0.871
ASSI {  2532}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 81  and name HB  ))
     6 6 0 peak 2532 weight  0.1000E+01 volume 64.00240 ppm1 -1.493 ppm2 0.872
ASSI {  2542}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 62  and name HG12  ))
     6 6 0 peak 2542 weight  0.1000E+01 volume 25.16840 ppm1 0.346 ppm2 0.881
ASSI {  2552}
  (( segid "PROT" and resid 81  and name HA  ))
  (( segid "PROT" and resid 81  and name HB  ))
     6 6 0 peak 2552 weight  0.1000E+01 volume 21.66080 ppm1 2.476 ppm2 0.866
ASSI {  2562}
  (( segid "PROT" and resid 78  and name HA  ))
  (( segid "PROT" and resid 81  and name HB  ))
     6 6 0 peak 2562 weight  0.1000E+01 volume 21.90610 ppm1 3.066 ppm2 0.871
ASSI {  2572}
  (( segid "PROT" and resid 109  and name HZ  ))
  (( segid "PROT" and resid 81  and name HB  ))
     6 6 0 peak 2572 weight  0.1000E+01 volume 2.95010 ppm1 6.851 ppm2 0.864
ASSI {  2582}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2582 weight  0.1000E+01 volume 111.43620 ppm1 0.344 ppm2 -0.258
ASSI {  2592}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 2592 weight  0.1000E+01 volume 10.69050 ppm1 0.347 ppm2 -1.491
ASSI {  2602}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2602 weight  0.1000E+01 volume 10.76200 ppm1 0.580 ppm2 -0.264
ASSI {  2612}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 2612 weight  0.1000E+01 volume 12.34170 ppm1 0.580 ppm2 -1.498
ASSI {  2622}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2622 weight  0.1000E+01 volume 27.91990 ppm1 0.676 ppm2 -0.262
ASSI {  2632}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 2632 weight  0.1000E+01 volume 43.34050 ppm1 0.671 ppm2 -1.501
ASSI {  2642}
  (( segid "PROT" and resid 81  and name HB  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2642 weight  0.1000E+01 volume 141.60159 ppm1 0.873 ppm2 -0.258
ASSI {  2652}
  (( segid "PROT" and resid 81  and name HB  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 2652 weight  0.1000E+01 volume 113.98910 ppm1 0.884 ppm2 -1.495
ASSI {  2662}
  (( segid "PROT" and resid 62  and name HG2#  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2662 weight  0.1000E+01 volume 18.81060 ppm1 1.184 ppm2 -0.264
ASSI {  2672}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 2672 weight  0.1000E+01 volume 37.98870 ppm1 1.243 ppm2 -1.498
ASSI {  2682}
  (( segid "PROT" and resid 81  and name HA  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2682 weight  0.1000E+01 volume 95.21840 ppm1 2.476 ppm2 -0.265
ASSI {  2692}
  (( segid "PROT" and resid 81  and name HA  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 2692 weight  0.1000E+01 volume 52.34660 ppm1 2.478 ppm2 -1.498
ASSI {  2702}
  (( segid "PROT" and resid 78  and name HB  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2702 weight  0.1000E+01 volume 2.87870 ppm1 2.216 ppm2 -0.255
ASSI {  2712}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2712 weight  0.1000E+01 volume 12.71510 ppm1 1.250 ppm2 -0.260
ASSI {  2722}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2722 weight  0.1000E+01 volume 66.61340 ppm1 1.107 ppm2 -0.258
ASSI {  2732}
  (( segid "PROT" and resid 78  and name HA  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2732 weight  0.1000E+01 volume 31.11850 ppm1 3.066 ppm2 -0.260
ASSI {  2742}
  (( segid "PROT" and resid 78  and name HA  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 2742 weight  0.1000E+01 volume 18.75960 ppm1 3.067 ppm2 -1.491
ASSI {  2752}
  (( segid "PROT" and resid 82  and name HA  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 2752 weight  0.1000E+01 volume 7.29660 ppm1 3.985 ppm2 -1.496
ASSI {  2762}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2762 weight  0.1000E+01 volume 7.85210 ppm1 6.059 ppm2 -0.250
ASSI {  2772}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 2772 weight  0.1000E+01 volume 59.92750 ppm1 6.058 ppm2 -1.489
ASSI {  2782}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2782 weight  0.1000E+01 volume 25.05450 ppm1 6.615 ppm2 -0.257
ASSI {  2792}
  (( segid "PROT" and resid 109  and name HZ  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2792 weight  0.1000E+01 volume 26.11970 ppm1 6.862 ppm2 -0.253
ASSI {  2802}
  (( segid "PROT" and resid 109  and name HZ  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 2802 weight  0.1000E+01 volume 11.29120 ppm1 6.853 ppm2 -1.501
ASSI {  2812}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2812 weight  0.1000E+01 volume 13.98190 ppm1 6.721 ppm2 -0.255
ASSI {  2822}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2822 weight  0.1000E+01 volume 7.54150 ppm1 7.042 ppm2 -0.257
ASSI {  2832}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 2832 weight  0.1000E+01 volume 35.29490 ppm1 7.186 ppm2 -0.257
ASSI {  2842}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 2842 weight  0.1000E+01 volume 21.15590 ppm1 7.193 ppm2 -1.498
ASSI {  2852}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 2852 weight  0.1000E+01 volume 19.79640 ppm1 7.045 ppm2 -1.496
ASSI {  2862}
  (( segid "PROT" and resid 98  and name HG1#  ))
  (( segid "PROT" and resid 98  and name HA  ))
     6 6 0 peak 2862 weight  0.1000E+01 volume 11.10700 ppm1 0.812 ppm2 3.292
ASSI {  2872}
  (( segid "PROT" and resid 98  and name HG2#  ))
  (( segid "PROT" and resid 98  and name HA  ))
     6 6 0 peak 2872 weight  0.1000E+01 volume 8.21310 ppm1 0.633 ppm2 3.287
ASSI {  2882}
  (( segid "PROT" and resid 98  and name HB  ))
  (( segid "PROT" and resid 98  and name HA  ))
     6 6 0 peak 2882 weight  0.1000E+01 volume 7.47530 ppm1 1.661 ppm2 3.294
ASSI {  2892}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 74  and name HB1  ))
     6 6 0 peak 2892 weight  0.1000E+01 volume 13.59900 ppm1 0.351 ppm2 1.787
ASSI {  2902}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 74  and name HB1  ))
     6 6 0 peak 2902 weight  0.1000E+01 volume 26.02210 ppm1 0.256 ppm2 1.784
ASSI {  2912}
  (( segid "PROT" and resid 25  and name HB1  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 2912 weight  0.1000E+01 volume 33.23340 ppm1 2.295 ppm2 0.892
ASSI {  2922}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 2922 weight  0.1000E+01 volume 342.00119 ppm1 0.673 ppm2 0.898
ASSI {  2932}
  (( segid "PROT" and resid 75  and name HB2  ))
  (( segid "PROT" and resid 75  and name HA  ))
     6 6 0 peak 2932 weight  0.1000E+01 volume 61.23800 ppm1 3.258 ppm2 4.191
ASSI {  2942}
  (( segid "PROT" and resid 75  and name HB1  ))
  (( segid "PROT" and resid 75  and name HA  ))
     6 6 0 peak 2942 weight  0.1000E+01 volume 54.08290 ppm1 3.608 ppm2 4.197
ASSI {  2952}
  (( segid "PROT" and resid 75  and name HE3  ))
  (( segid "PROT" and resid 75  and name HA  ))
     6 6 0 peak 2952 weight  0.1000E+01 volume 14.06620 ppm1 7.546 ppm2 4.198
ASSI {  2962}
  (( segid "PROT" and resid 75  and name HD1  ))
  (( segid "PROT" and resid 75  and name HA  ))
     6 6 0 peak 2962 weight  0.1000E+01 volume 9.75600 ppm1 7.483 ppm2 4.197
ASSI {  2972}
  (( segid "PROT" and resid 75  and name HA  ))
  (( segid "PROT" and resid 75  and name HB1  ))
     6 6 0 peak 2972 weight  0.1000E+01 volume 25.16260 ppm1 4.204 ppm2 3.610
ASSI {  2982}
  (( segid "PROT" and resid 75  and name HA  ))
  (( segid "PROT" and resid 75  and name HB2  ))
     6 6 0 peak 2982 weight  0.1000E+01 volume 40.41210 ppm1 4.204 ppm2 3.262
ASSI {  2992}
  (( segid "PROT" and resid 75  and name HB2  ))
  (( segid "PROT" and resid 75  and name HB1  ))
     6 6 0 peak 2992 weight  0.1000E+01 volume 71.71010 ppm1 3.260 ppm2 3.607
ASSI {  3002}
  (( segid "PROT" and resid 75  and name HB1  ))
  (( segid "PROT" and resid 75  and name HB2  ))
     6 6 0 peak 3002 weight  0.1000E+01 volume 65.55940 ppm1 3.602 ppm2 3.277
ASSI {  3012}
  (( segid "PROT" and resid 75  and name HE3  ))
  (( segid "PROT" and resid 75  and name HB2  ))
     6 6 0 peak 3012 weight  0.1000E+01 volume 8.30950 ppm1 7.540 ppm2 3.264
ASSI {  3022}
  (( segid "PROT" and resid 75  and name HD1  ))
  (( segid "PROT" and resid 75  and name HB2  ))
     6 6 0 peak 3022 weight  0.1000E+01 volume 18.21170 ppm1 7.477 ppm2 3.268
ASSI {  3032}
  (( segid "PROT" and resid 75  and name HE3  ))
  (( segid "PROT" and resid 75  and name HB1  ))
     6 6 0 peak 3032 weight  0.1000E+01 volume 4.31320 ppm1 7.546 ppm2 3.597
ASSI {  3042}
  (( segid "PROT" and resid 75  and name HD1  ))
  (( segid "PROT" and resid 75  and name HB1  ))
     6 6 0 peak 3042 weight  0.1000E+01 volume 14.44380 ppm1 7.476 ppm2 3.600
ASSI {  3052}
  (( segid "PROT" and resid 82  and name HA  ))
  (( segid "PROT" and resid 82  and name HB2  ))
     6 6 0 peak 3052 weight  0.1000E+01 volume 6.56470 ppm1 3.984 ppm2 3.103
ASSI {  3062}
  (( segid "PROT" and resid 82  and name HA  ))
  (( segid "PROT" and resid 82  and name HB1  ))
     6 6 0 peak 3062 weight  0.1000E+01 volume 8.79410 ppm1 3.982 ppm2 3.296
ASSI {  3072}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 82  and name HB1  ))
     6 6 0 peak 3072 weight  0.1000E+01 volume 7.76700 ppm1 7.477 ppm2 3.290
ASSI {  3082}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 82  and name HB2  ))
     6 6 0 peak 3082 weight  0.1000E+01 volume 6.51620 ppm1 7.473 ppm2 3.099
ASSI {  3092}
  (( segid "PROT" and resid 82  and name HE3  ))
  (( segid "PROT" and resid 82  and name HB1  ))
     6 6 0 peak 3092 weight  0.1000E+01 volume 4.78570 ppm1 7.899 ppm2 3.277
ASSI {  3102}
  (( segid "PROT" and resid 82  and name HB1  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 3102 weight  0.1000E+01 volume 8.59740 ppm1 3.289 ppm2 3.973
ASSI {  3112}
  (( segid "PROT" and resid 82  and name HB2  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 3112 weight  0.1000E+01 volume 20.69740 ppm1 3.097 ppm2 3.973
ASSI {  3122}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 3122 weight  0.1000E+01 volume 1.37620 ppm1 -1.494 ppm2 3.977
ASSI {  3132}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 3132 weight  0.1000E+01 volume 19.77790 ppm1 6.058 ppm2 3.980
ASSI {  3142}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 3142 weight  0.1000E+01 volume 7.80500 ppm1 7.483 ppm2 3.975
ASSI {  3152}
  (( segid "PROT" and resid 82  and name HE3  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 3152 weight  0.1000E+01 volume 19.28220 ppm1 7.897 ppm2 3.978
ASSI {  3162}
  (( segid "PROT" and resid 55  and name HB1  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 3162 weight  0.1000E+01 volume 45.11730 ppm1 2.737 ppm2 5.243
ASSI {  3172}
  (( segid "PROT" and resid 55  and name HA  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 3172 weight  0.1000E+01 volume 67.87960 ppm1 5.248 ppm2 2.741
ASSI {  3182}
  (( segid "PROT" and resid 56  and name HG2  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 3182 weight  0.1000E+01 volume 10.12780 ppm1 1.981 ppm2 5.245
ASSI {  3192}
  (( segid "PROT" and resid 56  and name HG1  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 3192 weight  0.1000E+01 volume 9.11060 ppm1 2.136 ppm2 5.247
ASSI {  3202}
  (( segid "PROT" and resid 56  and name HD2  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 3202 weight  0.1000E+01 volume 55.59060 ppm1 3.443 ppm2 5.245
ASSI {  3212}
  (( segid "PROT" and resid 56  and name HD1  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 3212 weight  0.1000E+01 volume 68.13080 ppm1 3.693 ppm2 5.243
ASSI {  3222}
  (( segid "PROT" and resid 83  and name HD1#  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 3222 weight  0.1000E+01 volume 90.50010 ppm1 0.886 ppm2 2.732
ASSI {  3232}
  (( segid "PROT" and resid 83  and name HD2#  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 3232 weight  0.1000E+01 volume 74.02950 ppm1 1.106 ppm2 2.737
ASSI {  3242}
  (( segid "PROT" and resid 51  and name HB1  ))
  (( segid "PROT" and resid 51  and name HB2  ))
     6 6 0 peak 3242 weight  0.1000E+01 volume 87.73130 ppm1 2.946 ppm2 2.683
ASSI {  3252}
  (( segid "PROT" and resid 51  and name HB2  ))
  (( segid "PROT" and resid 51  and name HB1  ))
     6 6 0 peak 3252 weight  0.1000E+01 volume 226.56210 ppm1 2.693 ppm2 2.914
ASSI {  3262}
  (( segid "PROT" and resid 56  and name HD2  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 3262 weight  0.1000E+01 volume 7.42510 ppm1 3.439 ppm2 2.734
ASSI {  3272}
  (( segid "PROT" and resid 26  and name HB1  ))
  (( segid "PROT" and resid 26  and name HA  ))
     6 6 0 peak 3272 weight  0.1000E+01 volume 21.02190 ppm1 2.894 ppm2 3.707
ASSI {  3282}
  (( segid "PROT" and resid 26  and name HA  ))
  (( segid "PROT" and resid 26  and name HB1  ))
     6 6 0 peak 3282 weight  0.1000E+01 volume 28.30750 ppm1 3.712 ppm2 2.898
ASSI {  3292}
  (( segid "PROT" and resid 23  and name HA  ))
  (( segid "PROT" and resid 26  and name HB1  ))
     6 6 0 peak 3292 weight  0.1000E+01 volume 58.24110 ppm1 4.023 ppm2 2.898
ASSI {  3302}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 26  and name HB1  ))
     6 6 0 peak 3302 weight  0.1000E+01 volume 9.91860 ppm1 6.610 ppm2 2.890
ASSI {  3312}
  (( segid "PROT" and resid 26  and name HD1  ))
  (( segid "PROT" and resid 26  and name HB1  ))
     6 6 0 peak 3312 weight  0.1000E+01 volume 46.08170 ppm1 6.964 ppm2 2.893
ASSI {  3322}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 26  and name HA  ))
     6 6 0 peak 3322 weight  0.1000E+01 volume 16.84180 ppm1 0.233 ppm2 3.709
ASSI {  3332}
  (( segid "PROT" and resid 32  and name HA  ))
  (( segid "PROT" and resid 26  and name HA  ))
     6 6 0 peak 3332 weight  0.1000E+01 volume 8.80900 ppm1 4.383 ppm2 3.706
ASSI {  3342}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 26  and name HA  ))
     6 6 0 peak 3342 weight  0.1000E+01 volume 1.22800 ppm1 6.609 ppm2 3.709
ASSI {  3352}
  (( segid "PROT" and resid 80  and name HB1  ))
  (( segid "PROT" and resid 77  and name HA  ))
     6 6 0 peak 3352 weight  0.1000E+01 volume 7.44120 ppm1 2.792 ppm2 3.386
ASSI {  3362}
  (( segid "PROT" and resid 77  and name HB1  ))
  (( segid "PROT" and resid 77  and name HA  ))
     6 6 0 peak 3362 weight  0.1000E+01 volume 7.46970 ppm1 2.641 ppm2 3.381
ASSI {  3372}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 77  and name HA  ))
     6 6 0 peak 3372 weight  0.1000E+01 volume 5.09310 ppm1 0.238 ppm2 3.383
ASSI {  3382}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 77  and name HA  ))
     6 6 0 peak 3382 weight  0.1000E+01 volume 16.30600 ppm1 6.727 ppm2 3.380
ASSI {  3392}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 77  and name HB1  ))
     6 6 0 peak 3392 weight  0.1000E+01 volume 15.84400 ppm1 0.236 ppm2 2.655
ASSI {  3402}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 77  and name HB2  ))
     6 6 0 peak 3402 weight  0.1000E+01 volume 11.69410 ppm1 6.725 ppm2 2.657
ASSI {  3412}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 77  and name HB2  ))
     6 6 0 peak 3412 weight  0.1000E+01 volume 7.83430 ppm1 6.623 ppm2 2.646
ASSI {  3422}
  (( segid "PROT" and resid 50  and name HD1  ))
  (( segid "PROT" and resid 50  and name HA  ))
     6 6 0 peak 3422 weight  0.1000E+01 volume 42.78790 ppm1 7.431 ppm2 4.978
ASSI {  3432}
  (( segid "PROT" and resid 50  and name HB1  ))
  (( segid "PROT" and resid 50  and name HA  ))
     6 6 0 peak 3432 weight  0.1000E+01 volume 22.65440 ppm1 3.483 ppm2 4.974
ASSI {  3442}
  (( segid "PROT" and resid 50  and name HD1  ))
  (( segid "PROT" and resid 50  and name HB2  ))
     6 6 0 peak 3442 weight  0.1000E+01 volume 8.26030 ppm1 7.437 ppm2 2.941
ASSI {  3452}
  (( segid "PROT" and resid 50  and name HD1  ))
  (( segid "PROT" and resid 50  and name HB1  ))
     6 6 0 peak 3452 weight  0.1000E+01 volume 7.84250 ppm1 7.437 ppm2 3.484
ASSI {  3462}
  (( segid "PROT" and resid 50  and name HB2  ))
  (( segid "PROT" and resid 50  and name HA  ))
     6 6 0 peak 3462 weight  0.1000E+01 volume 23.74040 ppm1 2.934 ppm2 4.976
ASSI {  3472}
  (( segid "PROT" and resid 50  and name HA  ))
  (( segid "PROT" and resid 50  and name HB1  ))
     6 6 0 peak 3472 weight  0.1000E+01 volume 10.56030 ppm1 4.979 ppm2 3.486
ASSI {  3482}
  (( segid "PROT" and resid 50  and name HA  ))
  (( segid "PROT" and resid 50  and name HB2  ))
     6 6 0 peak 3482 weight  0.1000E+01 volume 8.56060 ppm1 4.982 ppm2 2.939
ASSI {  3492}
  (( segid "PROT" and resid 50  and name HB1  ))
  (( segid "PROT" and resid 50  and name HB2  ))
     6 6 0 peak 3492 weight  0.1000E+01 volume 51.68760 ppm1 3.476 ppm2 2.939
ASSI {  3502}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "PROT" and resid 91  and name HA  ))
     6 6 0 peak 3502 weight  0.1000E+01 volume 35.00980 ppm1 6.944 ppm2 4.009
ASSI {  3512}
  (( segid "PROT" and resid 49  and name HB1  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 3512 weight  0.1000E+01 volume 11.49640 ppm1 2.750 ppm2 3.581
ASSI {  3522}
  (( segid "PROT" and resid 52  and name HG2#  ))
  (( segid "PROT" and resid 52  and name HA  ))
     6 6 0 peak 3522 weight  0.1000E+01 volume 100.59170 ppm1 0.992 ppm2 3.995
ASSI {  3532}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 52  and name HB  ))
     6 6 0 peak 3532 weight  0.1000E+01 volume 16.56270 ppm1 0.447 ppm2 1.819
ASSI {  3542}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 62  and name HA  ))
     6 6 0 peak 3542 weight  0.1000E+01 volume 13.32960 ppm1 0.348 ppm2 3.915
ASSI {  3552}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 62  and name HB  ))
     6 6 0 peak 3552 weight  0.1000E+01 volume 30.26840 ppm1 0.346 ppm2 1.689
ASSI {  3562}
  (( segid "PROT" and resid 62  and name HA  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 3562 weight  0.1000E+01 volume 21.01510 ppm1 3.911 ppm2 0.345
ASSI {  3572}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 3572 weight  0.1000E+01 volume 133.84430 ppm1 0.345 ppm2 1.161
ASSI {  3582}
  (( segid "PROT" and resid 62  and name HG2#  ))
  (( segid "PROT" and resid 62  and name HA  ))
     6 6 0 peak 3582 weight  0.1000E+01 volume 23.63770 ppm1 1.155 ppm2 3.917
ASSI {  3592}
  (( segid "PROT" and resid 62  and name HA  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 3592 weight  0.1000E+01 volume 53.64890 ppm1 3.916 ppm2 1.161
ASSI {  3602}
  (( segid "PROT" and resid 62  and name HB  ))
  (( segid "PROT" and resid 62  and name HA  ))
     6 6 0 peak 3602 weight  0.1000E+01 volume 7.80500 ppm1 1.695 ppm2 3.920
ASSI {  3612}
  (( segid "PROT" and resid 62  and name HA  ))
  (( segid "PROT" and resid 62  and name HB  ))
     6 6 0 peak 3612 weight  0.1000E+01 volume 5.73490 ppm1 3.917 ppm2 1.690
ASSI {  3622}
  (( segid "PROT" and resid 59  and name HA  ))
  (( segid "PROT" and resid 62  and name HB  ))
     6 6 0 peak 3622 weight  0.1000E+01 volume 17.94760 ppm1 3.840 ppm2 1.692
ASSI {  3632}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 62  and name HB  ))
     6 6 0 peak 3632 weight  0.1000E+01 volume 4.53150 ppm1 0.578 ppm2 1.687
ASSI {  3642}
  (( segid "PROT" and resid 62  and name HB  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 3642 weight  0.1000E+01 volume 45.97660 ppm1 1.696 ppm2 0.343
ASSI {  3652}
  (( segid "PROT" and resid 62  and name HG12  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 3652 weight  0.1000E+01 volume 78.19450 ppm1 0.887 ppm2 0.341
ASSI {  3662}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 3662 weight  0.1000E+01 volume 77.73760 ppm1 6.614 ppm2 1.161
ASSI {  3672}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 3672 weight  0.1000E+01 volume 23.98650 ppm1 6.720 ppm2 1.162
ASSI {  3682}
  (( segid "PROT" and resid 81  and name HA  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 3682 weight  0.1000E+01 volume 14.34150 ppm1 2.486 ppm2 1.160
ASSI {  3692}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 3692 weight  0.1000E+01 volume 27.92370 ppm1 -0.257 ppm2 1.156
ASSI {  3702}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 3702 weight  0.1000E+01 volume 22.93170 ppm1 -1.490 ppm2 0.342
ASSI {  3712}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 3712 weight  0.1000E+01 volume 97.29720 ppm1 -0.256 ppm2 0.342
ASSI {  3722}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 3722 weight  0.1000E+01 volume 23.84370 ppm1 0.577 ppm2 0.336
ASSI {  3732}
  (( segid "PROT" and resid 62  and name HG2#  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 3732 weight  0.1000E+01 volume 90.38260 ppm1 1.174 ppm2 0.346
ASSI {  3742}
  (( segid "PROT" and resid 62  and name HG11  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 3742 weight  0.1000E+01 volume 41.23820 ppm1 1.895 ppm2 0.343
ASSI {  3752}
  (( segid "PROT" and resid 84  and name HB1  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 3752 weight  0.1000E+01 volume 21.97830 ppm1 2.199 ppm2 0.347
ASSI {  3762}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 3762 weight  0.1000E+01 volume 3.44480 ppm1 6.725 ppm2 0.345
ASSI {  3772}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 3772 weight  0.1000E+01 volume 63.21270 ppm1 0.563 ppm2 3.629
ASSI {  3782}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 105  and name HB2  ))
     6 6 0 peak 3782 weight  0.1000E+01 volume 32.94890 ppm1 0.568 ppm2 1.109
ASSI {  3792}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 105  and name HB1  ))
     6 6 0 peak 3792 weight  0.1000E+01 volume 12.00850 ppm1 0.567 ppm2 1.506
ASSI {  3802}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 3802 weight  0.1000E+01 volume 147.21660 ppm1 0.394 ppm2 0.564
ASSI {  3812}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 3812 weight  0.1000E+01 volume 7.03450 ppm1 0.390 ppm2 3.630
ASSI {  3822}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 3822 weight  0.1000E+01 volume 29.50000 ppm1 0.956 ppm2 3.625
ASSI {  3832}
  (( segid "PROT" and resid 105  and name HB2  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 3832 weight  0.1000E+01 volume 28.08500 ppm1 1.116 ppm2 3.621
ASSI {  3842}
  (( segid "PROT" and resid 105  and name HG  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 3842 weight  0.1000E+01 volume 17.44330 ppm1 1.651 ppm2 3.632
ASSI {  3852}
  (( segid "PROT" and resid 108  and name HB  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 3852 weight  0.1000E+01 volume 35.47190 ppm1 2.158 ppm2 3.623
ASSI {  3862}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 3862 weight  0.1000E+01 volume 3.47420 ppm1 6.059 ppm2 3.629
ASSI {  3872}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 105  and name HB1  ))
     6 6 0 peak 3872 weight  0.1000E+01 volume 29.01630 ppm1 0.394 ppm2 1.508
ASSI {  3882}
  (( segid "PROT" and resid 105  and name HB2  ))
  (( segid "PROT" and resid 105  and name HB1  ))
     6 6 0 peak 3882 weight  0.1000E+01 volume 21.74230 ppm1 1.112 ppm2 1.520
ASSI {  3892}
  (( segid "PROT" and resid 105  and name HB1  ))
  (( segid "PROT" and resid 105  and name HB2  ))
     6 6 0 peak 3892 weight  0.1000E+01 volume 30.64860 ppm1 1.510 ppm2 1.113
ASSI {  3902}
  (( segid "PROT" and resid 105  and name HG  ))
  (( segid "PROT" and resid 105  and name HB2  ))
     6 6 0 peak 3902 weight  0.1000E+01 volume 5.43270 ppm1 1.646 ppm2 1.111
ASSI {  3912}
  (( segid "PROT" and resid 105  and name HA  ))
  (( segid "PROT" and resid 105  and name HB1  ))
     6 6 0 peak 3912 weight  0.1000E+01 volume 11.91120 ppm1 3.634 ppm2 1.516
ASSI {  3922}
  (( segid "PROT" and resid 105  and name HA  ))
  (( segid "PROT" and resid 105  and name HB2  ))
     6 6 0 peak 3922 weight  0.1000E+01 volume 22.84900 ppm1 3.632 ppm2 1.121
ASSI {  3932}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 105  and name HB1  ))
     6 6 0 peak 3932 weight  0.1000E+01 volume 25.52560 ppm1 6.058 ppm2 1.502
ASSI {  3942}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 105  and name HB2  ))
     6 6 0 peak 3942 weight  0.1000E+01 volume 20.20310 ppm1 6.057 ppm2 1.125
ASSI {  3952}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 3952 weight  0.1000E+01 volume 9.94490 ppm1 -1.497 ppm2 0.574
ASSI {  3962}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 3962 weight  0.1000E+01 volume 81.83070 ppm1 0.232 ppm2 0.563
ASSI {  3972}
  (( segid "PROT" and resid 105  and name HB2  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 3972 weight  0.1000E+01 volume 180.59430 ppm1 1.100 ppm2 0.563
ASSI {  3982}
  (( segid "PROT" and resid 105  and name HB1  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 3982 weight  0.1000E+01 volume 73.71660 ppm1 1.520 ppm2 0.563
ASSI {  3992}
  (( segid "PROT" and resid 105  and name HG  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 3992 weight  0.1000E+01 volume 161.23340 ppm1 1.648 ppm2 0.564
ASSI {  4002}
  (( segid "PROT" and resid 28  and name HG2  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 4002 weight  0.1000E+01 volume 92.14370 ppm1 2.051 ppm2 0.567
ASSI {  4012}
  (( segid "PROT" and resid 28  and name HB1  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 4012 weight  0.1000E+01 volume 62.92390 ppm1 2.137 ppm2 0.563
ASSI {  4022}
  (( segid "PROT" and resid 25  and name HB1  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 4022 weight  0.1000E+01 volume 52.73810 ppm1 2.300 ppm2 0.563
ASSI {  4032}
  (( segid "PROT" and resid 28  and name HG1  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 4032 weight  0.1000E+01 volume 33.66140 ppm1 2.801 ppm2 0.564
ASSI {  4042}
  (( segid "PROT" and resid 105  and name HA  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 4042 weight  0.1000E+01 volume 64.18540 ppm1 3.635 ppm2 0.566
ASSI {  4052}
  (( segid "PROT" and resid 107  and name HA  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 4052 weight  0.1000E+01 volume 57.26450 ppm1 4.108 ppm2 0.563
ASSI {  4062}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 4062 weight  0.1000E+01 volume 10.99420 ppm1 6.052 ppm2 0.566
ASSI {  4072}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 39  and name HG1#  ))
     6 6 0 peak 4072 weight  0.1000E+01 volume 18.49540 ppm1 6.149 ppm2 0.739
ASSI {  4082}
  (( segid "PROT" and resid 120  and name HA  ))
  (( segid "PROT" and resid 120  and name HD2#  ))
     6 6 0 peak 4082 weight  0.1000E+01 volume 256.56851 ppm1 4.434 ppm2 0.656
ASSI {  4092}
  (( segid "PROT" and resid 120  and name HA  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 4092 weight  0.1000E+01 volume 31.74070 ppm1 4.437 ppm2 0.606
ASSI {  4102}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 120  and name HA  ))
     6 6 0 peak 4102 weight  0.1000E+01 volume 127.83420 ppm1 0.662 ppm2 4.433
ASSI {  4112}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 120  and name HB2  ))
     6 6 0 peak 4112 weight  0.1000E+01 volume 49.44690 ppm1 0.659 ppm2 1.628
ASSI {  4122}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 120  and name HB1  ))
     6 6 0 peak 4122 weight  0.1000E+01 volume 45.81440 ppm1 0.612 ppm2 1.764
ASSI {  4132}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 120  and name HG  ))
     6 6 0 peak 4132 weight  0.1000E+01 volume 78.34210 ppm1 0.661 ppm2 1.783
ASSI {  4142}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 120  and name HG  ))
     6 6 0 peak 4142 weight  0.1000E+01 volume 55.92010 ppm1 0.614 ppm2 1.788
ASSI {  4152}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 87  and name HA  ))
     6 6 0 peak 4152 weight  0.1000E+01 volume 14.48730 ppm1 0.447 ppm2 4.458
ASSI {  4162}
  (( segid "PROT" and resid 90  and name HD2#  ))
  (( segid "PROT" and resid 87  and name HA  ))
     6 6 0 peak 4162 weight  0.1000E+01 volume 21.81770 ppm1 0.989 ppm2 4.459
ASSI {  4172}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 120  and name HB1  ))
     6 6 0 peak 4172 weight  0.1000E+01 volume 46.02430 ppm1 0.659 ppm2 1.768
ASSI {  4182}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 120  and name HB2  ))
     6 6 0 peak 4182 weight  0.1000E+01 volume 29.12310 ppm1 0.613 ppm2 1.628
ASSI {  4192}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 59  and name HB1  ))
     6 6 0 peak 4192 weight  0.1000E+01 volume 10.14180 ppm1 0.238 ppm2 1.718
ASSI {  4202}
  (( segid "PROT" and resid 59  and name HB2  ))
  (( segid "PROT" and resid 59  and name HB1  ))
     6 6 0 peak 4202 weight  0.1000E+01 volume 65.52610 ppm1 1.350 ppm2 1.726
ASSI {  4212}
  (( segid "PROT" and resid 120  and name HB2  ))
  (( segid "PROT" and resid 120  and name HB1  ))
     6 6 0 peak 4212 weight  0.1000E+01 volume 71.91420 ppm1 1.631 ppm2 1.771
ASSI {  4222}
  (( segid "PROT" and resid 120  and name HB1  ))
  (( segid "PROT" and resid 120  and name HB2  ))
     6 6 0 peak 4222 weight  0.1000E+01 volume 170.60100 ppm1 1.774 ppm2 1.628
ASSI {  4232}
  (( segid "PROT" and resid 59  and name HA  ))
  (( segid "PROT" and resid 59  and name HB1  ))
     6 6 0 peak 4232 weight  0.1000E+01 volume 4.83810 ppm1 3.841 ppm2 1.732
ASSI {  4242}
  (( segid "PROT" and resid 120  and name HA  ))
  (( segid "PROT" and resid 120  and name HB1  ))
     6 6 0 peak 4242 weight  0.1000E+01 volume 86.00540 ppm1 4.435 ppm2 1.773
ASSI {  4252}
  (( segid "PROT" and resid 120  and name HA  ))
  (( segid "PROT" and resid 120  and name HB2  ))
     6 6 0 peak 4252 weight  0.1000E+01 volume 48.32230 ppm1 4.432 ppm2 1.633
ASSI {  4262}
  (( segid "PROT" and resid 120  and name HA  ))
  (( segid "PROT" and resid 120  and name HG  ))
     6 6 0 peak 4262 weight  0.1000E+01 volume 12.93660 ppm1 4.435 ppm2 1.785
ASSI {  4272}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 4272 weight  0.1000E+01 volume 48.23740 ppm1 -1.493 ppm2 0.670
ASSI {  4282}
  (( segid "PROT" and resid 120  and name HB2  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 4282 weight  0.1000E+01 volume 172.17860 ppm1 1.629 ppm2 0.608
ASSI {  4292}
  (( segid "PROT" and resid 120  and name HG  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 4292 weight  0.1000E+01 volume 426.09991 ppm1 1.781 ppm2 0.610
ASSI {  4302}
  (( segid "PROT" and resid 14  and name HA  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 4302 weight  0.1000E+01 volume 19.20510 ppm1 3.784 ppm2 0.618
ASSI {  4322}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 4322 weight  0.1000E+01 volume 48.19300 ppm1 6.061 ppm2 0.665
ASSI {  4332}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 4332 weight  0.1000E+01 volume 50.15680 ppm1 7.046 ppm2 0.668
ASSI {  4342}
  (( segid "PROT" and resid 120  and name HG  ))
  (( segid "PROT" and resid 120  and name HD2#  ))
     6 6 0 peak 4342 weight  0.1000E+01 volume 399.03201 ppm1 1.783 ppm2 0.660
ASSI {  4352}
  (( segid "PROT" and resid 120  and name HB2  ))
  (( segid "PROT" and resid 120  and name HD2#  ))
     6 6 0 peak 4352 weight  0.1000E+01 volume 102.52940 ppm1 1.632 ppm2 0.660
ASSI {  4362}
  (( segid "PROT" and resid 14  and name HA  ))
  (( segid "PROT" and resid 120  and name HD2#  ))
     6 6 0 peak 4362 weight  0.1000E+01 volume 30.82260 ppm1 3.786 ppm2 0.658
ASSI {  4372}
  (( segid "PROT" and resid 40  and name HB2  ))
  (( segid "PROT" and resid 40  and name HA  ))
     6 6 0 peak 4372 weight  0.1000E+01 volume 27.16270 ppm1 2.384 ppm2 5.085
ASSI {  4382}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 40  and name HA  ))
     6 6 0 peak 4382 weight  0.1000E+01 volume 6.58340 ppm1 -0.363 ppm2 5.084
ASSI {  4392}
  (( segid "PROT" and resid 41  and name HD1  ))
  (( segid "PROT" and resid 40  and name HA  ))
     6 6 0 peak 4392 weight  0.1000E+01 volume 48.58690 ppm1 3.801 ppm2 5.084
ASSI {  4402}
  (( segid "PROT" and resid 102  and name HB1  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 4402 weight  0.1000E+01 volume 33.14950 ppm1 3.040 ppm2 3.237
ASSI {  4412}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 4412 weight  0.1000E+01 volume 11.94840 ppm1 0.394 ppm2 3.239
ASSI {  4422}
  (( segid "PROT" and resid 35  and name HZ  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 4422 weight  0.1000E+01 volume 8.53610 ppm1 7.031 ppm2 3.237
ASSI {  4432}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 4432 weight  0.1000E+01 volume 6.56040 ppm1 7.354 ppm2 3.236
ASSI {  4442}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 66  and name HA  ))
     6 6 0 peak 4442 weight  0.1000E+01 volume 33.49580 ppm1 0.837 ppm2 4.350
ASSI {  4452}
  (( segid "PROT" and resid 66  and name HB1  ))
  (( segid "PROT" and resid 66  and name HA  ))
     6 6 0 peak 4452 weight  0.1000E+01 volume 62.86240 ppm1 1.933 ppm2 4.347
ASSI {  4472}
  (( segid "PROT" and resid 71  and name HD1  ))
  (( segid "PROT" and resid 66  and name HA  ))
     6 6 0 peak 4472 weight  0.1000E+01 volume 21.56540 ppm1 6.874 ppm2 4.353
ASSI {  4482}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 66  and name HB1  ))
     6 6 0 peak 4482 weight  0.1000E+01 volume 32.47490 ppm1 0.838 ppm2 1.924
ASSI {  4492}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 66  and name HB1  ))
     6 6 0 peak 4492 weight  0.1000E+01 volume 53.94190 ppm1 0.737 ppm2 1.932
ASSI {  4502}
  (( segid "PROT" and resid 66  and name HB2  ))
  (( segid "PROT" and resid 66  and name HB1  ))
     6 6 0 peak 4502 weight  0.1000E+01 volume 149.92300 ppm1 1.748 ppm2 1.924
ASSI {  4512}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 66  and name HG  ))
     6 6 0 peak 4512 weight  0.1000E+01 volume 88.15190 ppm1 0.739 ppm2 1.720
ASSI {  4522}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 4522 weight  0.1000E+01 volume 19.27050 ppm1 6.612 ppm2 0.834
ASSI {  4532}
  (( segid "PROT" and resid 66  and name HB2  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 4532 weight  0.1000E+01 volume 330.33780 ppm1 1.753 ppm2 0.834
ASSI {  4542}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 4542 weight  0.1000E+01 volume 103.94100 ppm1 0.236 ppm2 0.837
ASSI {  4552}
  (( segid "PROT" and resid 16  and name HG2  ))
  (( segid "PROT" and resid 16  and name HA  ))
     6 6 0 peak 4552 weight  0.1000E+01 volume 50.14890 ppm1 2.400 ppm2 3.919
ASSI {  4562}
  (( segid "PROT" and resid 16  and name HA  ))
  (( segid "PROT" and resid 16  and name HG1  ))
     6 6 0 peak 4562 weight  0.1000E+01 volume 75.22950 ppm1 3.923 ppm2 2.484
ASSI {  4572}
  (( segid "PROT" and resid 16  and name HB2  ))
  (( segid "PROT" and resid 16  and name HA  ))
     6 6 0 peak 4572 weight  0.1000E+01 volume 160.00810 ppm1 2.075 ppm2 3.921
ASSI {  4582}
  (( segid "PROT" and resid 9  and name HD1  ))
  (( segid "PROT" and resid 9  and name HB1  ))
     6 6 0 peak 4582 weight  0.1000E+01 volume 51.90460 ppm1 7.327 ppm2 2.866
ASSI {  4592}
  (( segid "PROT" and resid 9  and name HA  ))
  (( segid "PROT" and resid 9  and name HB1  ))
     6 6 0 peak 4592 weight  0.1000E+01 volume 82.34560 ppm1 4.652 ppm2 2.863
ASSI {  4602}
  (( segid "PROT" and resid 64  and name HA  ))
  (( segid "PROT" and resid 67  and name HB1  ))
     6 6 0 peak 4602 weight  0.1000E+01 volume 29.65640 ppm1 4.163 ppm2 2.839
ASSI {  4612}
  (( segid "PROT" and resid 9  and name HB1  ))
  (( segid "PROT" and resid 9  and name HA  ))
     6 6 0 peak 4612 weight  0.1000E+01 volume 60.00880 ppm1 2.866 ppm2 4.641
ASSI {  4622}
  (( segid "PROT" and resid 9  and name HD1  ))
  (( segid "PROT" and resid 9  and name HA  ))
     6 6 0 peak 4622 weight  0.1000E+01 volume 13.02130 ppm1 7.313 ppm2 4.643
ASSI {  4632}
  (( segid "PROT" and resid 13  and name HB1  ))
  (( segid "PROT" and resid 13  and name HA  ))
     6 6 0 peak 4632 weight  0.1000E+01 volume 97.92800 ppm1 2.340 ppm2 4.139
ASSI {  4642}
  (( segid "PROT" and resid 117  and name HB1  ))
  (( segid "PROT" and resid 117  and name HB2  ))
     6 6 0 peak 4642 weight  0.1000E+01 volume 430.58740 ppm1 2.202 ppm2 1.976
ASSI {  4652}
  (( segid "PROT" and resid 13  and name HA  ))
  (( segid "PROT" and resid 13  and name HG1  ))
     6 6 0 peak 4652 weight  0.1000E+01 volume 174.42239 ppm1 4.139 ppm2 2.341
ASSI {  4662}
  (( segid "PROT" and resid 13  and name HB2  ))
  (( segid "PROT" and resid 13  and name HA  ))
     6 6 0 peak 4662 weight  0.1000E+01 volume 190.27890 ppm1 2.207 ppm2 4.130
ASSI {  4672}
  (( segid "PROT" and resid 20  and name HA  ))
  (( segid "PROT" and resid 23  and name HG1  ))
     6 6 0 peak 4672 weight  0.1000E+01 volume 25.57600 ppm1 4.434 ppm2 2.309
ASSI {  4682}
  (( segid "PROT" and resid 10  and name HB2  ))
  (( segid "PROT" and resid 13  and name HG1  ))
     6 6 0 peak 4682 weight  0.1000E+01 volume 33.75870 ppm1 1.675 ppm2 2.341
ASSI {  4692}
  (( segid "PROT" and resid 12  and name HA  ))
  (( segid "PROT" and resid 12  and name HG1  ))
     6 6 0 peak 4692 weight  0.1000E+01 volume 248.88049 ppm1 4.150 ppm2 2.333
ASSI {  4702}
  (( segid "PROT" and resid 12  and name HA  ))
  (( segid "PROT" and resid 12  and name HB1  ))
     6 6 0 peak 4702 weight  0.1000E+01 volume 326.53720 ppm1 4.145 ppm2 2.037
ASSI {  4712}
  (( segid "PROT" and resid 12  and name HG1  ))
  (( segid "PROT" and resid 12  and name HA  ))
     6 6 0 peak 4712 weight  0.1000E+01 volume 65.20830 ppm1 2.342 ppm2 4.144
ASSI {  4722}
  (( segid "PROT" and resid 67  and name HB1  ))
  (( segid "PROT" and resid 64  and name HA  ))
     6 6 0 peak 4722 weight  0.1000E+01 volume 67.49200 ppm1 2.839 ppm2 4.162
ASSI {  4742}
  (( segid "PROT" and resid 64  and name HG2  ))
  (( segid "PROT" and resid 64  and name HA  ))
     6 6 0 peak 4742 weight  0.1000E+01 volume 12.49080 ppm1 1.507 ppm2 4.166
ASSI {  4752}
  (( segid "PROT" and resid 115  and name HA  ))
  (( segid "PROT" and resid 115  and name HG1  ))
     6 6 0 peak 4752 weight  0.1000E+01 volume 151.65250 ppm1 4.260 ppm2 2.045
ASSI {  4762}
  (( segid "PROT" and resid 115  and name HD1  ))
  (( segid "PROT" and resid 115  and name HG1  ))
     6 6 0 peak 4762 weight  0.1000E+01 volume 140.19099 ppm1 3.768 ppm2 2.040
ASSI {  4772}
  (( segid "PROT" and resid 115  and name HD2  ))
  (( segid "PROT" and resid 115  and name HG1  ))
     6 6 0 peak 4772 weight  0.1000E+01 volume 115.54720 ppm1 3.520 ppm2 2.038
ASSI {  4782}
  (( segid "PROT" and resid 73  and name HA  ))
  (( segid "PROT" and resid 73  and name HG1  ))
     6 6 0 peak 4782 weight  0.1000E+01 volume 19.22240 ppm1 4.617 ppm2 2.431
ASSI {  4792}
  (( segid "PROT" and resid 12  and name HB1  ))
  (( segid "PROT" and resid 12  and name HG1  ))
     6 6 0 peak 4792 weight  0.1000E+01 volume 251.66679 ppm1 2.041 ppm2 2.335
ASSI {  4802}
  (( segid "PROT" and resid 51  and name HB1  ))
  (( segid "PROT" and resid 51  and name HA  ))
     6 6 0 peak 4802 weight  0.1000E+01 volume 51.60450 ppm1 2.944 ppm2 4.462
ASSI {  4812}
  (( segid "PROT" and resid 51  and name HA  ))
  (( segid "PROT" and resid 51  and name HB1  ))
     6 6 0 peak 4812 weight  0.1000E+01 volume 35.28530 ppm1 4.463 ppm2 2.942
ASSI {  4822}
  (( segid "PROT" and resid 51  and name HA  ))
  (( segid "PROT" and resid 51  and name HB2  ))
     6 6 0 peak 4822 weight  0.1000E+01 volume 37.23380 ppm1 4.459 ppm2 2.689
ASSI {  4832}
  (( segid "PROT" and resid 52  and name HA  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 4832 weight  0.1000E+01 volume 64.41250 ppm1 4.000 ppm2 0.998
ASSI {  4842}
  (( segid "PROT" and resid 52  and name HA  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 4842 weight  0.1000E+01 volume 131.39211 ppm1 3.994 ppm2 0.886
ASSI {  4852}
  (( segid "PROT" and resid 52  and name HA  ))
  (( segid "PROT" and resid 52  and name HG12  ))
     6 6 0 peak 4852 weight  0.1000E+01 volume 44.08580 ppm1 3.988 ppm2 1.391
ASSI {  4862}
  (( segid "PROT" and resid 52  and name HG12  ))
  (( segid "PROT" and resid 52  and name HA  ))
     6 6 0 peak 4862 weight  0.1000E+01 volume 36.48920 ppm1 1.403 ppm2 3.988
ASSI {  4872}
  (( segid "PROT" and resid 52  and name HD1#  ))
  (( segid "PROT" and resid 52  and name HA  ))
     6 6 0 peak 4872 weight  0.1000E+01 volume 76.85870 ppm1 0.883 ppm2 3.990
ASSI {  4882}
  (( segid "PROT" and resid 52  and name HD1#  ))
  (( segid "PROT" and resid 52  and name HB  ))
     6 6 0 peak 4882 weight  0.1000E+01 volume 63.71390 ppm1 0.883 ppm2 1.819
ASSI {  4892}
  (( segid "PROT" and resid 52  and name HG2#  ))
  (( segid "PROT" and resid 52  and name HG11  ))
     6 6 0 peak 4892 weight  0.1000E+01 volume 68.60310 ppm1 0.986 ppm2 1.559
ASSI {  4902}
  (( segid "PROT" and resid 52  and name HD1#  ))
  (( segid "PROT" and resid 52  and name HG11  ))
     6 6 0 peak 4902 weight  0.1000E+01 volume 84.18940 ppm1 0.884 ppm2 1.559
ASSI {  4912}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 4912 weight  0.1000E+01 volume 34.41670 ppm1 6.707 ppm2 1.000
ASSI {  4922}
  (( segid "PROT" and resid 53  and name HA  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 4922 weight  0.1000E+01 volume 14.48070 ppm1 3.539 ppm2 0.997
ASSI {  4932}
  (( segid "PROT" and resid 52  and name HB  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 4932 weight  0.1000E+01 volume 203.73090 ppm1 1.826 ppm2 0.995
ASSI {  4942}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 4942 weight  0.1000E+01 volume 83.89900 ppm1 0.446 ppm2 0.995
ASSI {  4952}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 4952 weight  0.1000E+01 volume 13.92940 ppm1 6.910 ppm2 0.881
ASSI {  4962}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 4962 weight  0.1000E+01 volume 85.88030 ppm1 6.707 ppm2 0.883
ASSI {  4972}
  (( segid "PROT" and resid 48  and name HB1  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 4972 weight  0.1000E+01 volume 10.15610 ppm1 3.122 ppm2 0.879
ASSI {  4982}
  (( segid "PROT" and resid 52  and name HB  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 4982 weight  0.1000E+01 volume 74.96340 ppm1 1.831 ppm2 0.885
ASSI {  4992}
  (( segid "PROT" and resid 52  and name HG12  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 4992 weight  0.1000E+01 volume 149.66220 ppm1 1.400 ppm2 0.881
ASSI {  5002}
  (( segid "PROT" and resid 52  and name HG2#  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 5002 weight  0.1000E+01 volume 91.98610 ppm1 1.017 ppm2 0.884
ASSI {  5012}
  (( segid "PROT" and resid 107  and name HB1  ))
  (( segid "PROT" and resid 107  and name HA  ))
     6 6 0 peak 5012 weight  0.1000E+01 volume 126.91110 ppm1 2.263 ppm2 4.142
ASSI {  5022}
  (( segid "PROT" and resid 112  and name HG1  ))
  (( segid "PROT" and resid 112  and name HB1  ))
     6 6 0 peak 5022 weight  0.1000E+01 volume 34.94950 ppm1 2.506 ppm2 1.982
ASSI {  5032}
  (( segid "PROT" and resid 107  and name HA  ))
  (( segid "PROT" and resid 107  and name HG1  ))
     6 6 0 peak 5032 weight  0.1000E+01 volume 70.02520 ppm1 4.134 ppm2 2.485
ASSI {  5042}
  (( segid "PROT" and resid 107  and name HG1  ))
  (( segid "PROT" and resid 107  and name HA  ))
     6 6 0 peak 5042 weight  0.1000E+01 volume 39.55350 ppm1 2.498 ppm2 4.131
ASSI {  5052}
  (( segid "PROT" and resid 107  and name HB1  ))
  (( segid "PROT" and resid 107  and name HG1  ))
     6 6 0 peak 5052 weight  0.1000E+01 volume 523.97632 ppm1 2.199 ppm2 2.486
ASSI {  5062}
  (( segid "PROT" and resid 114  and name HB1  ))
  (( segid "PROT" and resid 114  and name HA  ))
     6 6 0 peak 5062 weight  0.1000E+01 volume 31.10280 ppm1 2.835 ppm2 4.554
ASSI {  5072}
  (( segid "PROT" and resid 114  and name HB2  ))
  (( segid "PROT" and resid 114  and name HA  ))
     6 6 0 peak 5072 weight  0.1000E+01 volume 22.63580 ppm1 2.688 ppm2 4.549
ASSI {  5082}
  (( segid "PROT" and resid 114  and name HA  ))
  (( segid "PROT" and resid 114  and name HB1  ))
     6 6 0 peak 5082 weight  0.1000E+01 volume 88.13830 ppm1 4.552 ppm2 2.844
ASSI {  5092}
  (( segid "PROT" and resid 114  and name HA  ))
  (( segid "PROT" and resid 114  and name HB2  ))
     6 6 0 peak 5092 weight  0.1000E+01 volume 38.86500 ppm1 4.553 ppm2 2.679
ASSI {  5102}
  (( segid "PROT" and resid 115  and name HD2  ))
  (( segid "PROT" and resid 114  and name HB1  ))
     6 6 0 peak 5102 weight  0.1000E+01 volume 38.21580 ppm1 3.516 ppm2 2.841
ASSI {  5112}
  (( segid "PROT" and resid 115  and name HD2  ))
  (( segid "PROT" and resid 114  and name HB2  ))
     6 6 0 peak 5112 weight  0.1000E+01 volume 19.98390 ppm1 3.515 ppm2 2.675
ASSI {  5122}
  (( segid "PROT" and resid 114  and name HB2  ))
  (( segid "PROT" and resid 114  and name HB1  ))
     6 6 0 peak 5122 weight  0.1000E+01 volume 184.14850 ppm1 2.684 ppm2 2.837
ASSI {  5132}
  (( segid "PROT" and resid 114  and name HB1  ))
  (( segid "PROT" and resid 114  and name HB2  ))
     6 6 0 peak 5132 weight  0.1000E+01 volume 346.30719 ppm1 2.839 ppm2 2.684
ASSI {  5142}
  (( segid "PROT" and resid 115  and name HG1  ))
  (( segid "PROT" and resid 114  and name HB2  ))
     6 6 0 peak 5142 weight  0.1000E+01 volume 19.19760 ppm1 2.040 ppm2 2.684
ASSI {  5152}
  (( segid "PROT" and resid 115  and name HG1  ))
  (( segid "PROT" and resid 114  and name HB1  ))
     6 6 0 peak 5152 weight  0.1000E+01 volume 13.72630 ppm1 2.040 ppm2 2.851
ASSI {  5162}
  (( segid "PROT" and resid 55  and name HA  ))
  (( segid "PROT" and resid 56  and name HD1  ))
     6 6 0 peak 5162 weight  0.1000E+01 volume 47.62800 ppm1 5.244 ppm2 3.691
ASSI {  5172}
  (( segid "PROT" and resid 55  and name HA  ))
  (( segid "PROT" and resid 56  and name HD2  ))
     6 6 0 peak 5172 weight  0.1000E+01 volume 34.40170 ppm1 5.249 ppm2 3.432
ASSI {  5182}
  (( segid "PROT" and resid 56  and name HG1  ))
  (( segid "PROT" and resid 56  and name HD1  ))
     6 6 0 peak 5182 weight  0.1000E+01 volume 91.92640 ppm1 2.139 ppm2 3.698
ASSI {  5192}
  (( segid "PROT" and resid 56  and name HG1  ))
  (( segid "PROT" and resid 56  and name HD2  ))
     6 6 0 peak 5192 weight  0.1000E+01 volume 106.69040 ppm1 2.139 ppm2 3.448
ASSI {  5202}
  (( segid "PROT" and resid 56  and name HD1  ))
  (( segid "PROT" and resid 56  and name HD2  ))
     6 6 0 peak 5202 weight  0.1000E+01 volume 61.26340 ppm1 3.695 ppm2 3.443
ASSI {  5212}
  (( segid "PROT" and resid 56  and name HG2  ))
  (( segid "PROT" and resid 56  and name HD2  ))
     6 6 0 peak 5212 weight  0.1000E+01 volume 86.95500 ppm1 1.981 ppm2 3.448
ASSI {  5222}
  (( segid "PROT" and resid 56  and name HG2  ))
  (( segid "PROT" and resid 56  and name HD1  ))
     6 6 0 peak 5222 weight  0.1000E+01 volume 68.57390 ppm1 1.973 ppm2 3.702
ASSI {  5232}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 56  and name HD2  ))
     6 6 0 peak 5232 weight  0.1000E+01 volume 5.83920 ppm1 0.612 ppm2 3.437
ASSI {  5242}
  (( segid "PROT" and resid 114  and name HA  ))
  (( segid "PROT" and resid 115  and name HD1  ))
     6 6 0 peak 5242 weight  0.1000E+01 volume 5.57020 ppm1 4.550 ppm2 3.754
ASSI {  5252}
  (( segid "PROT" and resid 114  and name HA  ))
  (( segid "PROT" and resid 115  and name HD2  ))
     6 6 0 peak 5252 weight  0.1000E+01 volume 6.45330 ppm1 4.553 ppm2 3.508
ASSI {  5262}
  (( segid "PROT" and resid 112  and name HA  ))
  (( segid "PROT" and resid 115  and name HD2  ))
     6 6 0 peak 5262 weight  0.1000E+01 volume 8.87870 ppm1 4.116 ppm2 3.518
ASSI {  5272}
  (( segid "PROT" and resid 112  and name HA  ))
  (( segid "PROT" and resid 115  and name HD1  ))
     6 6 0 peak 5272 weight  0.1000E+01 volume 17.66530 ppm1 4.114 ppm2 3.754
ASSI {  5282}
  (( segid "PROT" and resid 115  and name HD1  ))
  (( segid "PROT" and resid 115  and name HD2  ))
     6 6 0 peak 5282 weight  0.1000E+01 volume 81.86390 ppm1 3.763 ppm2 3.518
ASSI {  5292}
  (( segid "PROT" and resid 115  and name HD2  ))
  (( segid "PROT" and resid 115  and name HD1  ))
     6 6 0 peak 5292 weight  0.1000E+01 volume 116.57590 ppm1 3.514 ppm2 3.766
ASSI {  5302}
  (( segid "PROT" and resid 114  and name HB1  ))
  (( segid "PROT" and resid 115  and name HD1  ))
     6 6 0 peak 5302 weight  0.1000E+01 volume 26.52120 ppm1 2.841 ppm2 3.763
ASSI {  5312}
  (( segid "PROT" and resid 114  and name HB1  ))
  (( segid "PROT" and resid 115  and name HD2  ))
     6 6 0 peak 5312 weight  0.1000E+01 volume 40.00560 ppm1 2.840 ppm2 3.518
ASSI {  5322}
  (( segid "PROT" and resid 114  and name HB2  ))
  (( segid "PROT" and resid 115  and name HD1  ))
     6 6 0 peak 5322 weight  0.1000E+01 volume 45.36940 ppm1 2.691 ppm2 3.763
ASSI {  5332}
  (( segid "PROT" and resid 115  and name HG1  ))
  (( segid "PROT" and resid 115  and name HD1  ))
     6 6 0 peak 5332 weight  0.1000E+01 volume 122.79030 ppm1 2.041 ppm2 3.760
ASSI {  5342}
  (( segid "PROT" and resid 115  and name HG1  ))
  (( segid "PROT" and resid 115  and name HD2  ))
     6 6 0 peak 5342 weight  0.1000E+01 volume 90.73140 ppm1 2.044 ppm2 3.511
ASSI {  5352}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 74  and name HD1  ))
     6 6 0 peak 5352 weight  0.1000E+01 volume 2.90990 ppm1 0.269 ppm2 3.743
ASSI {  5362}
  (( segid "PROT" and resid 115  and name HA  ))
  (( segid "PROT" and resid 115  and name HD1  ))
     6 6 0 peak 5362 weight  0.1000E+01 volume 9.79210 ppm1 4.266 ppm2 3.752
ASSI {  5372}
  (( segid "PROT" and resid 115  and name HA  ))
  (( segid "PROT" and resid 115  and name HD2  ))
     6 6 0 peak 5372 weight  0.1000E+01 volume 14.61470 ppm1 4.267 ppm2 3.519
ASSI {  5382}
  (( segid "PROT" and resid 55  and name HA  ))
  (( segid "PROT" and resid 56  and name HG1  ))
     6 6 0 peak 5382 weight  0.1000E+01 volume 9.73510 ppm1 5.247 ppm2 2.129
ASSI {  5392}
  (( segid "PROT" and resid 55  and name HA  ))
  (( segid "PROT" and resid 56  and name HG2  ))
     6 6 0 peak 5392 weight  0.1000E+01 volume 3.92750 ppm1 5.247 ppm2 1.977
ASSI {  5402}
  (( segid "PROT" and resid 50  and name HE1  ))
  (( segid "PROT" and resid 56  and name HG1  ))
     6 6 0 peak 5402 weight  0.1000E+01 volume 40.24620 ppm1 7.399 ppm2 2.136
ASSI {  5412}
  (( segid "PROT" and resid 50  and name HE1  ))
  (( segid "PROT" and resid 56  and name HG2  ))
     6 6 0 peak 5412 weight  0.1000E+01 volume 23.77450 ppm1 7.403 ppm2 1.977
ASSI {  5422}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 56  and name HG2  ))
     6 6 0 peak 5422 weight  0.1000E+01 volume 2.29310 ppm1 6.150 ppm2 1.979
ASSI {  5432}
  (( segid "PROT" and resid 16  and name HA  ))
  (( segid "PROT" and resid 16  and name HB1  ))
     6 6 0 peak 5432 weight  0.1000E+01 volume 261.26669 ppm1 3.924 ppm2 2.107
ASSI {  5442}
  (( segid "PROT" and resid 56  and name HD2  ))
  (( segid "PROT" and resid 56  and name HG2  ))
     6 6 0 peak 5442 weight  0.1000E+01 volume 68.31700 ppm1 3.448 ppm2 1.966
ASSI {  5452}
  (( segid "PROT" and resid 115  and name HD1  ))
  (( segid "PROT" and resid 115  and name HA  ))
     6 6 0 peak 5452 weight  0.1000E+01 volume 7.41650 ppm1 3.769 ppm2 4.260
ASSI {  5462}
  (( segid "PROT" and resid 115  and name HD2  ))
  (( segid "PROT" and resid 115  and name HA  ))
     6 6 0 peak 5462 weight  0.1000E+01 volume 2.42170 ppm1 3.514 ppm2 4.260
ASSI {  5472}
  (( segid "PROT" and resid 115  and name HB1  ))
  (( segid "PROT" and resid 115  and name HA  ))
     6 6 0 peak 5472 weight  0.1000E+01 volume 59.66990 ppm1 2.278 ppm2 4.265
ASSI {  5482}
  (( segid "PROT" and resid 115  and name HG1  ))
  (( segid "PROT" and resid 115  and name HA  ))
     6 6 0 peak 5482 weight  0.1000E+01 volume 63.52150 ppm1 2.048 ppm2 4.272
ASSI {  5492}
  (( segid "PROT" and resid 56  and name HA  ))
  (( segid "PROT" and resid 56  and name HD2  ))
     6 6 0 peak 5492 weight  0.1000E+01 volume 7.13010 ppm1 4.127 ppm2 3.450
ASSI {  5502}
  (( segid "PROT" and resid 56  and name HD1  ))
  (( segid "PROT" and resid 56  and name HA  ))
     6 6 0 peak 5502 weight  0.1000E+01 volume 8.89790 ppm1 3.696 ppm2 4.132
ASSI {  5512}
  (( segid "PROT" and resid 56  and name HD2  ))
  (( segid "PROT" and resid 56  and name HA  ))
     6 6 0 peak 5512 weight  0.1000E+01 volume 6.34110 ppm1 3.448 ppm2 4.132
ASSI {  5522}
  (( segid "PROT" and resid 38  and name HG1  ))
  (( segid "PROT" and resid 38  and name HA  ))
     6 6 0 peak 5522 weight  0.1000E+01 volume 57.75800 ppm1 1.971 ppm2 4.138
ASSI {  5532}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 56  and name HA  ))
     6 6 0 peak 5532 weight  0.1000E+01 volume 44.00370 ppm1 0.613 ppm2 4.125
ASSI {  5542}
  (( segid "PROT" and resid 115  and name HD2  ))
  (( segid "PROT" and resid 115  and name HB1  ))
     6 6 0 peak 5542 weight  0.1000E+01 volume 14.70810 ppm1 3.517 ppm2 2.269
ASSI {  5552}
  (( segid "PROT" and resid 115  and name HD2  ))
  (( segid "PROT" and resid 115  and name HB2  ))
     6 6 0 peak 5552 weight  0.1000E+01 volume 10.44890 ppm1 3.515 ppm2 1.852
ASSI {  5562}
  (( segid "PROT" and resid 115  and name HA  ))
  (( segid "PROT" and resid 115  and name HB1  ))
     6 6 0 peak 5562 weight  0.1000E+01 volume 120.53190 ppm1 4.273 ppm2 2.281
ASSI {  5572}
  (( segid "PROT" and resid 115  and name HD1  ))
  (( segid "PROT" and resid 115  and name HB1  ))
     6 6 0 peak 5572 weight  0.1000E+01 volume 16.72010 ppm1 3.764 ppm2 2.279
ASSI {  5582}
  (( segid "PROT" and resid 56  and name HD2  ))
  (( segid "PROT" and resid 56  and name HB1  ))
     6 6 0 peak 5582 weight  0.1000E+01 volume 14.86660 ppm1 3.453 ppm2 2.149
ASSI {  5592}
  (( segid "PROT" and resid 56  and name HD1  ))
  (( segid "PROT" and resid 56  and name HB2  ))
     6 6 0 peak 5592 weight  0.1000E+01 volume 47.60220 ppm1 3.691 ppm2 2.141
ASSI {  5602}
  (( segid "PROT" and resid 50  and name HE1  ))
  (( segid "PROT" and resid 56  and name HB2  ))
     6 6 0 peak 5602 weight  0.1000E+01 volume 19.27350 ppm1 7.403 ppm2 2.137
ASSI {  5612}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 56  and name HB2  ))
     6 6 0 peak 5612 weight  0.1000E+01 volume 2.66410 ppm1 6.150 ppm2 2.131
ASSI {  5622}
  (( segid "PROT" and resid 56  and name HA  ))
  (( segid "PROT" and resid 56  and name HB1  ))
     6 6 0 peak 5622 weight  0.1000E+01 volume 32.91330 ppm1 4.132 ppm2 2.139
ASSI {  5632}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 56  and name HB1  ))
     6 6 0 peak 5632 weight  0.1000E+01 volume 15.36040 ppm1 6.149 ppm2 2.442
ASSI {  5642}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 56  and name HB1  ))
     6 6 0 peak 5642 weight  0.1000E+01 volume 9.02350 ppm1 0.612 ppm2 2.436
ASSI {  5652}
  (( segid "PROT" and resid 56  and name HD2  ))
  (( segid "PROT" and resid 56  and name HD1  ))
     6 6 0 peak 5652 weight  0.1000E+01 volume 78.92920 ppm1 3.444 ppm2 3.695
ASSI {  5662}
  (( segid "PROT" and resid 56  and name HB2  ))
  (( segid "PROT" and resid 56  and name HA  ))
     6 6 0 peak 5662 weight  0.1000E+01 volume 66.01550 ppm1 2.142 ppm2 4.131
ASSI {  5672}
  (( segid "PROT" and resid 56  and name HD1  ))
  (( segid "PROT" and resid 56  and name HG2  ))
     6 6 0 peak 5672 weight  0.1000E+01 volume 81.53870 ppm1 3.697 ppm2 1.976
ASSI {  5682}
  (( segid "PROT" and resid 56  and name HD2  ))
  (( segid "PROT" and resid 56  and name HG1  ))
     6 6 0 peak 5682 weight  0.1000E+01 volume 21.95490 ppm1 3.442 ppm2 2.131
ASSI {  5692}
  (( segid "PROT" and resid 115  and name HG1  ))
  (( segid "PROT" and resid 115  and name HB1  ))
     6 6 0 peak 5692 weight  0.1000E+01 volume 113.72460 ppm1 2.044 ppm2 2.279
ASSI {  5702}
  (( segid "PROT" and resid 115  and name HB1  ))
  (( segid "PROT" and resid 115  and name HD1  ))
     6 6 0 peak 5702 weight  0.1000E+01 volume 60.91840 ppm1 2.272 ppm2 3.757
ASSI {  5712}
  (( segid "PROT" and resid 115  and name HB1  ))
  (( segid "PROT" and resid 115  and name HD2  ))
     6 6 0 peak 5712 weight  0.1000E+01 volume 23.03740 ppm1 2.275 ppm2 3.510
ASSI {  5722}
  (( segid "PROT" and resid 107  and name HA  ))
  (( segid "PROT" and resid 107  and name HB1  ))
     6 6 0 peak 5722 weight  0.1000E+01 volume 443.03311 ppm1 4.125 ppm2 2.229
ASSI {  5732}
  (( segid "PROT" and resid 115  and name HD1  ))
  (( segid "PROT" and resid 112  and name HA  ))
     6 6 0 peak 5732 weight  0.1000E+01 volume 12.05290 ppm1 3.767 ppm2 4.122
ASSI {  5742}
  (( segid "PROT" and resid 111  and name HG2  ))
  (( segid "PROT" and resid 111  and name HA  ))
     6 6 0 peak 5742 weight  0.1000E+01 volume 97.61870 ppm1 2.438 ppm2 4.107
ASSI {  5752}
  (( segid "PROT" and resid 111  and name HB1  ))
  (( segid "PROT" and resid 111  and name HA  ))
     6 6 0 peak 5752 weight  0.1000E+01 volume 117.32290 ppm1 2.280 ppm2 4.119
ASSI {  5762}
  (( segid "PROT" and resid 111  and name HB2  ))
  (( segid "PROT" and resid 111  and name HA  ))
     6 6 0 peak 5762 weight  0.1000E+01 volume 192.16200 ppm1 2.179 ppm2 4.103
ASSI {  5772}
  (( segid "PROT" and resid 112  and name HB1  ))
  (( segid "PROT" and resid 112  and name HA  ))
     6 6 0 peak 5772 weight  0.1000E+01 volume 172.79041 ppm1 2.027 ppm2 4.114
ASSI {  5782}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 25  and name HA  ))
     6 6 0 peak 5782 weight  0.1000E+01 volume 142.10870 ppm1 0.895 ppm2 4.104
ASSI {  5792}
  (( segid "PROT" and resid 112  and name HA  ))
  (( segid "PROT" and resid 112  and name HG1  ))
     6 6 0 peak 5792 weight  0.1000E+01 volume 44.03420 ppm1 4.124 ppm2 2.495
ASSI {  5802}
  (( segid "PROT" and resid 24  and name HB#  ))
  (( segid "PROT" and resid 112  and name HG1  ))
     6 6 0 peak 5802 weight  0.1000E+01 volume 25.39870 ppm1 1.415 ppm2 2.481
ASSI {  5812}
  (( segid "PROT" and resid 108  and name HG2#  ))
  (( segid "PROT" and resid 112  and name HG1  ))
     6 6 0 peak 5812 weight  0.1000E+01 volume 18.91930 ppm1 0.870 ppm2 2.480
ASSI {  5822}
  (( segid "PROT" and resid 107  and name HG1  ))
  (( segid "PROT" and resid 107  and name HB1  ))
     6 6 0 peak 5822 weight  0.1000E+01 volume 317.32840 ppm1 2.503 ppm2 2.237
ASSI {  5832}
  (( segid "PROT" and resid 87  and name HA  ))
  (( segid "PROT" and resid 87  and name HB1  ))
     6 6 0 peak 5832 weight  0.1000E+01 volume 21.22330 ppm1 4.455 ppm2 3.076
ASSI {  5842}
  (( segid "PROT" and resid 87  and name HA  ))
  (( segid "PROT" and resid 87  and name HB2  ))
     6 6 0 peak 5842 weight  0.1000E+01 volume 29.99460 ppm1 4.457 ppm2 2.756
ASSI {  5852}
  (( segid "PROT" and resid 86  and name HB1  ))
  (( segid "PROT" and resid 86  and name HB2  ))
     6 6 0 peak 5852 weight  0.1000E+01 volume 74.81410 ppm1 3.112 ppm2 2.881
ASSI {  5862}
  (( segid "PROT" and resid 86  and name HB1  ))
  (( segid "PROT" and resid 86  and name HA  ))
     6 6 0 peak 5862 weight  0.1000E+01 volume 6.95340 ppm1 3.124 ppm2 4.810
ASSI {  5872}
  (( segid "PROT" and resid 89  and name HE3  ))
  (( segid "PROT" and resid 86  and name HA  ))
     6 6 0 peak 5872 weight  0.1000E+01 volume 8.01920 ppm1 7.612 ppm2 4.792
ASSI {  5882}
  (( segid "PROT" and resid 86  and name HA  ))
  (( segid "PROT" and resid 86  and name HB1  ))
     6 6 0 peak 5882 weight  0.1000E+01 volume 13.08460 ppm1 4.807 ppm2 3.123
ASSI {  5892}
  (( segid "PROT" and resid 86  and name HA  ))
  (( segid "PROT" and resid 86  and name HB2  ))
     6 6 0 peak 5892 weight  0.1000E+01 volume 14.75270 ppm1 4.808 ppm2 2.889
ASSI {  5902}
  (( segid "PROT" and resid 83  and name HA  ))
  (( segid "PROT" and resid 86  and name HB2  ))
     6 6 0 peak 5902 weight  0.1000E+01 volume 4.18360 ppm1 4.232 ppm2 2.884
ASSI {  5912}
  (( segid "PROT" and resid 83  and name HA  ))
  (( segid "PROT" and resid 86  and name HB1  ))
     6 6 0 peak 5912 weight  0.1000E+01 volume 8.70560 ppm1 4.233 ppm2 3.123
ASSI {  5922}
  (( segid "PROT" and resid 83  and name HD2#  ))
  (( segid "PROT" and resid 86  and name HB1  ))
     6 6 0 peak 5922 weight  0.1000E+01 volume 6.74740 ppm1 1.104 ppm2 3.117
ASSI {  5932}
  (( segid "PROT" and resid 87  and name HB1  ))
  (( segid "PROT" and resid 87  and name HB2  ))
     6 6 0 peak 5932 weight  0.1000E+01 volume 17.64080 ppm1 3.088 ppm2 2.750
ASSI {  5942}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 87  and name HB2  ))
     6 6 0 peak 5942 weight  0.1000E+01 volume 4.81320 ppm1 0.446 ppm2 2.750
ASSI {  5952}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 18  and name HA  ))
     6 6 0 peak 5952 weight  0.1000E+01 volume 87.41720 ppm1 0.504 ppm2 4.191
ASSI {  5962}
  (( segid "PROT" and resid 40  and name HA  ))
  (( segid "PROT" and resid 41  and name HD1  ))
     6 6 0 peak 5962 weight  0.1000E+01 volume 42.51860 ppm1 5.084 ppm2 3.780
ASSI {  5972}
  (( segid "PROT" and resid 41  and name HG1  ))
  (( segid "PROT" and resid 41  and name HD1  ))
     6 6 0 peak 5972 weight  0.1000E+01 volume 34.97970 ppm1 1.575 ppm2 3.782
ASSI {  5982}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 41  and name HD1  ))
     6 6 0 peak 5982 weight  0.1000E+01 volume 6.06200 ppm1 -0.355 ppm2 3.783
ASSI {  5992}
  (( segid "PROT" and resid 10  and name HA  ))
  (( segid "PROT" and resid 11  and name HD1  ))
     6 6 0 peak 5992 weight  0.1000E+01 volume 24.61030 ppm1 4.678 ppm2 3.913
ASSI {  6002}
  (( segid "PROT" and resid 11  and name HD2  ))
  (( segid "PROT" and resid 11  and name HA  ))
     6 6 0 peak 6002 weight  0.1000E+01 volume 6.82160 ppm1 3.901 ppm2 4.228
ASSI {  6012}
  (( segid "PROT" and resid 20  and name HA  ))
  (( segid "PROT" and resid 20  and name HD2  ))
     6 6 0 peak 6012 weight  0.1000E+01 volume 6.48250 ppm1 4.432 ppm2 3.337
ASSI {  6022}
  (( segid "PROT" and resid 20  and name HA  ))
  (( segid "PROT" and resid 20  and name HD1  ))
     6 6 0 peak 6022 weight  0.1000E+01 volume 6.39000 ppm1 4.423 ppm2 3.613
ASSI {  6032}
  (( segid "PROT" and resid 79  and name HA  ))
  (( segid "PROT" and resid 79  and name HB1  ))
     6 6 0 peak 6032 weight  0.1000E+01 volume 59.72170 ppm1 4.552 ppm2 2.844
ASSI {  6042}
  (( segid "PROT" and resid 80  and name HB2  ))
  (( segid "PROT" and resid 80  and name HB1  ))
     6 6 0 peak 6042 weight  0.1000E+01 volume 23.24870 ppm1 2.491 ppm2 2.790
ASSI {  6052}
  (( segid "PROT" and resid 79  and name HA  ))
  (( segid "PROT" and resid 79  and name HB2  ))
     6 6 0 peak 6052 weight  0.1000E+01 volume 47.13520 ppm1 4.550 ppm2 2.703
ASSI {  6062}
  (( segid "PROT" and resid 67  and name HA  ))
  (( segid "PROT" and resid 67  and name HB2  ))
     6 6 0 peak 6062 weight  0.1000E+01 volume 74.80790 ppm1 4.353 ppm2 2.586
ASSI {  6072}
  (( segid "PROT" and resid 67  and name HA  ))
  (( segid "PROT" and resid 67  and name HB1  ))
     6 6 0 peak 6072 weight  0.1000E+01 volume 39.61320 ppm1 4.356 ppm2 2.842
ASSI {  6082}
  (( segid "PROT" and resid 67  and name HB1  ))
  (( segid "PROT" and resid 67  and name HA  ))
     6 6 0 peak 6082 weight  0.1000E+01 volume 37.33840 ppm1 2.845 ppm2 4.345
ASSI {  6092}
  (( segid "PROT" and resid 67  and name HB2  ))
  (( segid "PROT" and resid 67  and name HA  ))
     6 6 0 peak 6092 weight  0.1000E+01 volume 80.37990 ppm1 2.598 ppm2 4.352
ASSI {  6102}
  (( segid "PROT" and resid 15  and name HD1  ))
  (( segid "PROT" and resid 67  and name HA  ))
     6 6 0 peak 6102 weight  0.1000E+01 volume 48.44370 ppm1 3.281 ppm2 4.350
ASSI {  6112}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 66  and name HA  ))
     6 6 0 peak 6112 weight  0.1000E+01 volume 35.09890 ppm1 0.739 ppm2 4.347
ASSI {  6122}
  (( segid "PROT" and resid 64  and name HA  ))
  (( segid "PROT" and resid 67  and name HB2  ))
     6 6 0 peak 6122 weight  0.1000E+01 volume 25.06080 ppm1 4.167 ppm2 2.588
ASSI {  6132}
  (( segid "PROT" and resid 57  and name HE#  ))
  (( segid "PROT" and resid 57  and name HA  ))
     6 6 0 peak 6132 weight  0.1000E+01 volume 45.91850 ppm1 1.990 ppm2 5.069
ASSI {  6142}
  (( segid "PROT" and resid 30  and name HA  ))
  (( segid "PROT" and resid 29  and name HB2  ))
     6 6 0 peak 6142 weight  0.1000E+01 volume 4.03250 ppm1 5.037 ppm2 2.252
ASSI {  6152}
  (( segid "PROT" and resid 57  and name HB1  ))
  (( segid "PROT" and resid 57  and name HA  ))
     6 6 0 peak 6152 weight  0.1000E+01 volume 32.23280 ppm1 2.169 ppm2 5.064
ASSI {  6162}
  (( segid "PROT" and resid 61  and name HB  ))
  (( segid "PROT" and resid 57  and name HA  ))
     6 6 0 peak 6162 weight  0.1000E+01 volume 3.67820 ppm1 4.233 ppm2 5.058
ASSI {  6172}
  (( segid "PROT" and resid 57  and name HG1  ))
  (( segid "PROT" and resid 57  and name HA  ))
     6 6 0 peak 6172 weight  0.1000E+01 volume 5.01050 ppm1 3.010 ppm2 5.067
ASSI {  6182}
  (( segid "PROT" and resid 57  and name HB2  ))
  (( segid "PROT" and resid 57  and name HA  ))
     6 6 0 peak 6182 weight  0.1000E+01 volume 21.20200 ppm1 1.245 ppm2 5.070
ASSI {  6192}
  (( segid "PROT" and resid 61  and name HG2#  ))
  (( segid "PROT" and resid 57  and name HA  ))
     6 6 0 peak 6192 weight  0.1000E+01 volume 8.65120 ppm1 1.136 ppm2 5.061
ASSI {  6202}
  (( segid "PROT" and resid 30  and name HA  ))
  (( segid "PROT" and resid 29  and name HB1  ))
     6 6 0 peak 6202 weight  0.1000E+01 volume 2.19150 ppm1 5.035 ppm2 2.787
ASSI {  6212}
  (( segid "PROT" and resid 97  and name HA  ))
  (( segid "PROT" and resid 97  and name HB1  ))
     6 6 0 peak 6212 weight  0.1000E+01 volume 90.55210 ppm1 3.649 ppm2 1.610
ASSI {  6222}
  (( segid "PROT" and resid 80  and name HA  ))
  (( segid "PROT" and resid 57  and name HE#  ))
     6 6 0 peak 6222 weight  0.1000E+01 volume 12.26960 ppm1 4.551 ppm2 1.985
ASSI {  6232}
  (( segid "PROT" and resid 61  and name HB  ))
  (( segid "PROT" and resid 57  and name HE#  ))
     6 6 0 peak 6232 weight  0.1000E+01 volume 8.29350 ppm1 4.225 ppm2 1.985
ASSI {  6242}
  (( segid "PROT" and resid 57  and name HA  ))
  (( segid "PROT" and resid 57  and name HE#  ))
     6 6 0 peak 6242 weight  0.1000E+01 volume 105.13470 ppm1 5.058 ppm2 1.988
ASSI {  6252}
  (( segid "PROT" and resid 83  and name HD2#  ))
  (( segid "PROT" and resid 57  and name HE#  ))
     6 6 0 peak 6252 weight  0.1000E+01 volume 128.44360 ppm1 1.137 ppm2 1.985
ASSI {  6262}
  (( segid "PROT" and resid 83  and name HD1#  ))
  (( segid "PROT" and resid 57  and name HE#  ))
     6 6 0 peak 6262 weight  0.1000E+01 volume 117.62990 ppm1 0.885 ppm2 1.988
ASSI {  6272}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 57  and name HE#  ))
     6 6 0 peak 6272 weight  0.1000E+01 volume 6.75420 ppm1 0.341 ppm2 1.988
ASSI {  6282}
  (( segid "PROT" and resid 75  and name HD1  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 6282 weight  0.1000E+01 volume 6.33930 ppm1 7.479 ppm2 1.469
ASSI {  6292}
  (( segid "PROT" and resid 117  and name HA  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 6292 weight  0.1000E+01 volume 18.13580 ppm1 4.310 ppm2 1.470
ASSI {  6302}
  (( segid "PROT" and resid 75  and name HA  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 6302 weight  0.1000E+01 volume 10.94660 ppm1 4.202 ppm2 1.468
ASSI {  6312}
  (( segid "PROT" and resid 117  and name HG1  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 6312 weight  0.1000E+01 volume 14.75430 ppm1 2.604 ppm2 1.470
ASSI {  6322}
  (( segid "PROT" and resid 117  and name HG2  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 6322 weight  0.1000E+01 volume 12.49270 ppm1 2.507 ppm2 1.470
ASSI {  6332}
  (( segid "PROT" and resid 117  and name HB1  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 6332 weight  0.1000E+01 volume 20.62230 ppm1 2.206 ppm2 1.472
ASSI {  6342}
  (( segid "PROT" and resid 117  and name HB2  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 6342 weight  0.1000E+01 volume 34.40160 ppm1 1.974 ppm2 1.471
ASSI {  6352}
  (( segid "PROT" and resid 120  and name HG  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 6352 weight  0.1000E+01 volume 65.04310 ppm1 1.784 ppm2 1.471
ASSI {  6362}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 6362 weight  0.1000E+01 volume 17.71240 ppm1 1.113 ppm2 1.472
ASSI {  6382}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 6382 weight  0.1000E+01 volume 3.13480 ppm1 0.609 ppm2 1.471
ASSI {  6392}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 6392 weight  0.1000E+01 volume 8.53810 ppm1 0.888 ppm2 1.471
ASSI {  6402}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 6402 weight  0.1000E+01 volume 3.83860 ppm1 0.504 ppm2 1.472
ASSI {  6412}
  (( segid "PROT" and resid 22  and name HD2#  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 6412 weight  0.1000E+01 volume 35.98480 ppm1 1.094 ppm2 2.016
ASSI {  6422}
  (( segid "PROT" and resid 15  and name HD1  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 6422 weight  0.1000E+01 volume 34.86220 ppm1 3.285 ppm2 2.014
ASSI {  6432}
  (( segid "PROT" and resid 63  and name HE1  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 6432 weight  0.1000E+01 volume 40.86030 ppm1 2.801 ppm2 2.013
ASSI {  6442}
  (( segid "PROT" and resid 63  and name HG2  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 6442 weight  0.1000E+01 volume 29.25700 ppm1 1.188 ppm2 2.014
ASSI {  6452}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 6452 weight  0.1000E+01 volume 29.06300 ppm1 0.837 ppm2 2.014
ASSI {  6462}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 6462 weight  0.1000E+01 volume 69.16730 ppm1 0.739 ppm2 2.015
ASSI {  6472}
  (( segid "PROT" and resid 72  and name HG1  ))
  (( segid "PROT" and resid 72  and name HA  ))
     6 6 0 peak 6472 weight  0.1000E+01 volume 55.01170 ppm1 2.409 ppm2 4.297
ASSI {  6482}
  (( segid "PROT" and resid 22  and name HB1  ))
  (( segid "PROT" and resid 22  and name HA  ))
     6 6 0 peak 6482 weight  0.1000E+01 volume 147.22411 ppm1 2.246 ppm2 4.292
ASSI {  6492}
  (( segid "PROT" and resid 72  and name HA  ))
  (( segid "PROT" and resid 72  and name HB1  ))
     6 6 0 peak 6492 weight  0.1000E+01 volume 129.28030 ppm1 4.288 ppm2 2.250
ASSI {  6502}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 22  and name HA  ))
     6 6 0 peak 6502 weight  0.1000E+01 volume 7.85940 ppm1 0.669 ppm2 4.310
ASSI {  6512}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 72  and name HA  ))
     6 6 0 peak 6512 weight  0.1000E+01 volume 15.12860 ppm1 0.353 ppm2 4.296
ASSI {  6522}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 72  and name HA  ))
     6 6 0 peak 6522 weight  0.1000E+01 volume 4.99920 ppm1 0.266 ppm2 4.299
ASSI {  6532}
  (( segid "PROT" and resid 72  and name HA  ))
  (( segid "PROT" and resid 72  and name HB2  ))
     6 6 0 peak 6532 weight  0.1000E+01 volume 89.91720 ppm1 4.288 ppm2 2.131
ASSI {  6542}
  (( segid "PROT" and resid 72  and name HA  ))
  (( segid "PROT" and resid 72  and name HG1  ))
     6 6 0 peak 6542 weight  0.1000E+01 volume 116.20240 ppm1 4.292 ppm2 2.430
ASSI {  6552}
  (( segid "PROT" and resid 5  and name HD1  ))
  (( segid "PROT" and resid 5  and name HB1  ))
     6 6 0 peak 6552 weight  0.1000E+01 volume 104.24170 ppm1 3.152 ppm2 1.754
ASSI {  6562}
  (( segid "PROT" and resid 115  and name HA  ))
  (( segid "PROT" and resid 115  and name HB2  ))
     6 6 0 peak 6562 weight  0.1000E+01 volume 90.54950 ppm1 4.269 ppm2 1.855
ASSI {  6572}
  (( segid "PROT" and resid 93  and name HB2  ))
  (( segid "PROT" and resid 93  and name HA  ))
     6 6 0 peak 6572 weight  0.1000E+01 volume 194.52020 ppm1 1.744 ppm2 4.307
ASSI {  6582}
  (( segid "PROT" and resid 93  and name HB1  ))
  (( segid "PROT" and resid 93  and name HA  ))
     6 6 0 peak 6582 weight  0.1000E+01 volume 63.86300 ppm1 1.904 ppm2 4.300
ASSI {  6592}
  (( segid "PROT" and resid 5  and name HG1  ))
  (( segid "PROT" and resid 5  and name HD1  ))
     6 6 0 peak 6592 weight  0.1000E+01 volume 151.50529 ppm1 1.603 ppm2 3.148
ASSI {  6602}
  (( segid "PROT" and resid 5  and name HA  ))
  (( segid "PROT" and resid 5  and name HD1  ))
     6 6 0 peak 6602 weight  0.1000E+01 volume 53.98700 ppm1 4.324 ppm2 3.151
ASSI {  6612}
  (( segid "PROT" and resid 6  and name HA  ))
  (( segid "PROT" and resid 6  and name HB1  ))
     6 6 0 peak 6612 weight  0.1000E+01 volume 265.56351 ppm1 4.273 ppm2 1.756
ASSI {  6622}
  (( segid "PROT" and resid 20  and name HG1  ))
  (( segid "PROT" and resid 17  and name HA  ))
     6 6 0 peak 6622 weight  0.1000E+01 volume 2.74950 ppm1 2.127 ppm2 4.189
ASSI {  6632}
  (( segid "PROT" and resid 20  and name HD2  ))
  (( segid "PROT" and resid 17  and name HA  ))
     6 6 0 peak 6632 weight  0.1000E+01 volume 3.07760 ppm1 3.334 ppm2 4.170
ASSI {  6642}
  (( segid "PROT" and resid 116  and name HG2#  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 6642 weight  0.1000E+01 volume 106.74150 ppm1 0.776 ppm2 1.335
ASSI {  6652}
  (( segid "PROT" and resid 102  and name HA  ))
  (( segid "PROT" and resid 105  and name HB1  ))
     6 6 0 peak 6652 weight  0.1000E+01 volume 3.19860 ppm1 3.240 ppm2 1.510
ASSI {  6662}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 11  and name HA  ))
     6 6 0 peak 6662 weight  0.1000E+01 volume 10.15870 ppm1 0.354 ppm2 4.230
ASSI {  6672}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 11  and name HA  ))
     6 6 0 peak 6672 weight  0.1000E+01 volume 2.44110 ppm1 0.266 ppm2 4.223
ASSI {  6682}
  (( segid "PROT" and resid 11  and name HB1  ))
  (( segid "PROT" and resid 11  and name HA  ))
     6 6 0 peak 6682 weight  0.1000E+01 volume 82.21030 ppm1 2.434 ppm2 4.226
ASSI {  6692}
  (( segid "PROT" and resid 115  and name HD1  ))
  (( segid "PROT" and resid 115  and name HB2  ))
     6 6 0 peak 6692 weight  0.1000E+01 volume 35.85090 ppm1 3.765 ppm2 1.851
ASSI {  6702}
  (( segid "PROT" and resid 107  and name HA  ))
  (( segid "PROT" and resid 108  and name HA  ))
     6 6 0 peak 6702 weight  0.1000E+01 volume 7.06490 ppm1 4.116 ppm2 3.649
ASSI {  6712}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 6712 weight  0.1000E+01 volume 18.92280 ppm1 0.354 ppm2 3.775
ASSI {  6722}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 6722 weight  0.1000E+01 volume 34.20910 ppm1 0.241 ppm2 3.777
ASSI {  6732}
  (( segid "PROT" and resid 74  and name HB1  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 6732 weight  0.1000E+01 volume 149.56020 ppm1 1.784 ppm2 3.776
ASSI {  6742}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 6742 weight  0.1000E+01 volume 5.93870 ppm1 0.505 ppm2 3.772
ASSI {  6752}
  (( segid "PROT" and resid 62  and name HG12  ))
  (( segid "PROT" and resid 62  and name HA  ))
     6 6 0 peak 6752 weight  0.1000E+01 volume 12.32750 ppm1 0.889 ppm2 3.912
ASSI {  6762}
  (( segid "PROT" and resid 74  and name HG2  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 6762 weight  0.1000E+01 volume 14.91060 ppm1 1.407 ppm2 3.775
ASSI {  6772}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 6772 weight  0.1000E+01 volume 3.58100 ppm1 6.723 ppm2 3.777
ASSI {  6782}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 41  and name HA  ))
     6 6 0 peak 6782 weight  0.1000E+01 volume 4.78040 ppm1 -0.358 ppm2 3.629
ASSI {  6792}
  (( segid "PROT" and resid 49  and name HB2  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 6792 weight  0.1000E+01 volume 9.79200 ppm1 1.978 ppm2 3.580
ASSI {  6802}
  (( segid "PROT" and resid 91  and name HA  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 6802 weight  0.1000E+01 volume 17.25900 ppm1 3.999 ppm2 0.445
ASSI {  6812}
  (( segid "PROT" and resid 52  and name HG11  ))
  (( segid "PROT" and resid 52  and name HA  ))
     6 6 0 peak 6812 weight  0.1000E+01 volume 25.55410 ppm1 1.560 ppm2 3.986
ASSI {  6822}
  (( segid "PROT" and resid 65  and name HG2  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 6822 weight  0.1000E+01 volume 23.40610 ppm1 0.729 ppm2 3.411
ASSI {  6832}
  (( segid "PROT" and resid 65  and name HB2  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 6832 weight  0.1000E+01 volume 19.64230 ppm1 0.560 ppm2 3.410
ASSI {  6842}
  (( segid "PROT" and resid 70  and name HB2  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 6842 weight  0.1000E+01 volume 31.22740 ppm1 1.090 ppm2 3.412
ASSI {  6852}
  (( segid "PROT" and resid 65  and name HD2  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 6852 weight  0.1000E+01 volume 4.32820 ppm1 1.344 ppm2 3.412
ASSI {  6862}
  (( segid "PROT" and resid 70  and name HG1  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 6862 weight  0.1000E+01 volume 13.50320 ppm1 2.262 ppm2 3.416
ASSI {  6872}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 6872 weight  0.1000E+01 volume 40.23530 ppm1 0.738 ppm2 3.670
ASSI {  6882}
  (( segid "PROT" and resid 15  and name HG1  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 6882 weight  0.1000E+01 volume 20.04540 ppm1 1.548 ppm2 3.661
ASSI {  6892}
  (( segid "PROT" and resid 15  and name HD1  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 6892 weight  0.1000E+01 volume 16.14350 ppm1 3.286 ppm2 3.664
ASSI {  6902}
  (( segid "PROT" and resid 66  and name HA  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 6902 weight  0.1000E+01 volume 5.70780 ppm1 4.356 ppm2 3.676
ASSI {  6912}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 32  and name HA  ))
     6 6 0 peak 6912 weight  0.1000E+01 volume 12.78950 ppm1 0.394 ppm2 4.364
ASSI {  6922}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 32  and name HA  ))
     6 6 0 peak 6922 weight  0.1000E+01 volume 6.93220 ppm1 0.233 ppm2 4.361
ASSI {  6932}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 32  and name HA  ))
     6 6 0 peak 6932 weight  0.1000E+01 volume 11.47910 ppm1 0.565 ppm2 4.360
ASSI {  6942}
  (( segid "PROT" and resid 100  and name HG2  ))
  (( segid "PROT" and resid 100  and name HA  ))
     6 6 0 peak 6942 weight  0.1000E+01 volume 24.98670 ppm1 1.607 ppm2 4.313
ASSI {  6952}
  (( segid "PROT" and resid 100  and name HB1  ))
  (( segid "PROT" and resid 100  and name HA  ))
     6 6 0 peak 6952 weight  0.1000E+01 volume 47.40060 ppm1 2.032 ppm2 4.318
ASSI {  6962}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 36  and name HA  ))
     6 6 0 peak 6962 weight  0.1000E+01 volume 17.29670 ppm1 0.235 ppm2 3.944
ASSI {  6972}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 36  and name HA  ))
     6 6 0 peak 6972 weight  0.1000E+01 volume 4.29050 ppm1 0.586 ppm2 3.953
ASSI {  6982}
  (( segid "PROT" and resid 36  and name HG2  ))
  (( segid "PROT" and resid 36  and name HA  ))
     6 6 0 peak 6982 weight  0.1000E+01 volume 59.06830 ppm1 1.335 ppm2 3.947
ASSI {  6992}
  (( segid "PROT" and resid 105  and name HB1  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 6992 weight  0.1000E+01 volume 4.38380 ppm1 1.515 ppm2 3.244
ASSI {  7002}
  (( segid "PROT" and resid 105  and name HG  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 7002 weight  0.1000E+01 volume 1.52330 ppm1 1.639 ppm2 3.236
ASSI {  7012}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 7012 weight  0.1000E+01 volume 32.55350 ppm1 0.836 ppm2 3.668
ASSI {  7022}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 7022 weight  0.1000E+01 volume 3.13970 ppm1 0.240 ppm2 3.660
ASSI {  7032}
  (( segid "PROT" and resid 63  and name HG2  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 7032 weight  0.1000E+01 volume 38.60640 ppm1 1.187 ppm2 3.694
ASSI {  7042}
  (( segid "PROT" and resid 22  and name HD1#  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 7042 weight  0.1000E+01 volume 41.82830 ppm1 1.089 ppm2 3.694
ASSI {  7052}
  (( segid "PROT" and resid 15  and name HA  ))
  (( segid "PROT" and resid 15  and name HD1  ))
     6 6 0 peak 7052 weight  0.1000E+01 volume 17.18740 ppm1 3.665 ppm2 3.280
ASSI {  7062}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 7062 weight  0.1000E+01 volume 206.05701 ppm1 0.582 ppm2 0.228
ASSI {  7072}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 7072 weight  0.1000E+01 volume 155.27290 ppm1 0.235 ppm2 0.582
ASSI {  7082}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 7082 weight  0.1000E+01 volume 20.13860 ppm1 6.609 ppm2 0.578
ASSI {  7092}
  (( segid "PROT" and resid 22  and name HD1#  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 7092 weight  0.1000E+01 volume 55.90550 ppm1 1.098 ppm2 0.232
ASSI {  7102}
  (( segid "PROT" and resid 36  and name HA  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 7102 weight  0.1000E+01 volume 15.69320 ppm1 3.940 ppm2 0.225
ASSI {  7112}
  (( segid "PROT" and resid 32  and name HA  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 7112 weight  0.1000E+01 volume 40.20330 ppm1 4.375 ppm2 0.232
ASSI {  7122}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 7122 weight  0.1000E+01 volume 29.33880 ppm1 6.609 ppm2 0.234
ASSI {  7132}
  (( segid "PROT" and resid 26  and name HD1  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 7132 weight  0.1000E+01 volume 23.06250 ppm1 6.951 ppm2 0.232
ASSI {  7142}
  (( segid "PROT" and resid 36  and name HA  ))
  (( segid "PROT" and resid 59  and name HB1  ))
     6 6 0 peak 7142 weight  0.1000E+01 volume 7.23360 ppm1 3.943 ppm2 1.724
ASSI {  7152}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 59  and name HB1  ))
     6 6 0 peak 7152 weight  0.1000E+01 volume 60.58010 ppm1 0.589 ppm2 1.725
ASSI {  7162}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 22  and name HD1#  ))
     6 6 0 peak 7162 weight  0.1000E+01 volume 82.29150 ppm1 3.698 ppm2 1.089
ASSI {  7172}
  (( segid "PROT" and resid 66  and name HB2  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 7172 weight  0.1000E+01 volume 29.25340 ppm1 1.749 ppm2 3.678
ASSI {  7182}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 7182 weight  0.1000E+01 volume 63.22130 ppm1 -1.494 ppm2 1.219
ASSI {  7192}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 7192 weight  0.1000E+01 volume 14.29340 ppm1 -0.255 ppm2 1.221
ASSI {  7202}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 7202 weight  0.1000E+01 volume 11.68390 ppm1 0.235 ppm2 1.219
ASSI {  7212}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 7212 weight  0.1000E+01 volume 12.82850 ppm1 0.351 ppm2 1.223
ASSI {  7222}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 7222 weight  0.1000E+01 volume 30.73530 ppm1 0.574 ppm2 1.221
ASSI {  7232}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 7232 weight  0.1000E+01 volume 12.34490 ppm1 0.670 ppm2 1.219
ASSI {  7242}
  (( segid "PROT" and resid 84  and name HA  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 7242 weight  0.1000E+01 volume 15.26080 ppm1 3.649 ppm2 1.224
ASSI {  7252}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 7252 weight  0.1000E+01 volume 34.61690 ppm1 6.049 ppm2 1.217
ASSI {  7262}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 7262 weight  0.1000E+01 volume 113.18530 ppm1 6.914 ppm2 0.994
ASSI {  7272}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 7272 weight  0.1000E+01 volume 10.25750 ppm1 7.371 ppm2 1.212
ASSI {  7282}
  (( segid "PROT" and resid 67  and name HA  ))
  (( segid "PROT" and resid 15  and name HD1  ))
     6 6 0 peak 7282 weight  0.1000E+01 volume 72.79710 ppm1 4.357 ppm2 3.278
ASSI {  7292}
  (( segid "PROT" and resid 111  and name HG1  ))
  (( segid "PROT" and resid 111  and name HA  ))
     6 6 0 peak 7292 weight  0.1000E+01 volume 38.56110 ppm1 2.519 ppm2 4.103
ASSI {  7302}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 25  and name HA  ))
     6 6 0 peak 7302 weight  0.1000E+01 volume 23.31490 ppm1 0.567 ppm2 4.102
ASSI {  7312}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 25  and name HA  ))
     6 6 0 peak 7312 weight  0.1000E+01 volume 13.57400 ppm1 0.674 ppm2 4.104
ASSI {  7322}
  (( segid "PROT" and resid 11  and name HA  ))
  (( segid "PROT" and resid 14  and name HB2  ))
     6 6 0 peak 7322 weight  0.1000E+01 volume 13.08680 ppm1 4.230 ppm2 1.308
ASSI {  7332}
  (( segid "PROT" and resid 18  and name HB2  ))
  (( segid "PROT" and resid 18  and name HA  ))
     6 6 0 peak 7332 weight  0.1000E+01 volume 19.70730 ppm1 0.316 ppm2 4.188
ASSI {  7342}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 18  and name HA  ))
     6 6 0 peak 7342 weight  0.1000E+01 volume 14.27450 ppm1 0.235 ppm2 4.186
ASSI {  7352}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 73  and name HA  ))
     6 6 0 peak 7352 weight  0.1000E+01 volume 2.14820 ppm1 0.268 ppm2 4.615
ASSI {  7362}
  (( segid "PROT" and resid 20  and name HD2  ))
  (( segid "PROT" and resid 20  and name HD1  ))
     6 6 0 peak 7362 weight  0.1000E+01 volume 27.78140 ppm1 3.334 ppm2 3.618
ASSI {  7382}
  (( segid "PROT" and resid 41  and name HD2  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 7382 weight  0.1000E+01 volume 19.06980 ppm1 3.732 ppm2 -0.371
ASSI {  7392}
  (( segid "PROT" and resid 17  and name HA  ))
  (( segid "PROT" and resid 20  and name HD2  ))
     6 6 0 peak 7392 weight  0.1000E+01 volume 2.40460 ppm1 4.186 ppm2 3.332
ASSI {  7402}
  (( segid "PROT" and resid 20  and name HD1  ))
  (( segid "PROT" and resid 20  and name HD2  ))
     6 6 0 peak 7402 weight  0.1000E+01 volume 44.85800 ppm1 3.611 ppm2 3.334
ASSI {  7412}
  (( segid "PROT" and resid 82  and name HZ2  ))
  (( segid "PROT" and resid 110  and name HG1  ))
     6 6 0 peak 7412 weight  0.1000E+01 volume 8.44730 ppm1 7.718 ppm2 2.823
ASSI {  7422}
  (( segid "PROT" and resid 82  and name HZ2  ))
  (( segid "PROT" and resid 110  and name HG2  ))
     6 6 0 peak 7422 weight  0.1000E+01 volume 39.47780 ppm1 7.722 ppm2 2.515
ASSI {  7432}
  (( segid "PROT" and resid 82  and name HH2  ))
  (( segid "PROT" and resid 110  and name HG2  ))
     6 6 0 peak 7432 weight  0.1000E+01 volume 13.89610 ppm1 7.480 ppm2 2.515
ASSI {  7442}
  (( segid "PROT" and resid 82  and name HH2  ))
  (( segid "PROT" and resid 110  and name HG1  ))
     6 6 0 peak 7442 weight  0.1000E+01 volume 20.29230 ppm1 7.476 ppm2 2.822
ASSI {  7452}
  (( segid "PROT" and resid 111  and name HA  ))
  (( segid "PROT" and resid 110  and name HG1  ))
     6 6 0 peak 7452 weight  0.1000E+01 volume 18.38770 ppm1 4.003 ppm2 2.817
ASSI {  7462}
  (( segid "PROT" and resid 110  and name HA  ))
  (( segid "PROT" and resid 110  and name HG2  ))
     6 6 0 peak 7462 weight  0.1000E+01 volume 62.83170 ppm1 4.001 ppm2 2.513
ASSI {  7472}
  (( segid "PROT" and resid 110  and name HG1  ))
  (( segid "PROT" and resid 110  and name HG2  ))
     6 6 0 peak 7472 weight  0.1000E+01 volume 253.06950 ppm1 2.819 ppm2 2.522
ASSI {  7482}
  (( segid "PROT" and resid 110  and name HG2  ))
  (( segid "PROT" and resid 110  and name HG1  ))
     6 6 0 peak 7482 weight  0.1000E+01 volume 159.04289 ppm1 2.522 ppm2 2.820
ASSI {  7492}
  (( segid "PROT" and resid 110  and name HB1  ))
  (( segid "PROT" and resid 110  and name HG1  ))
     6 6 0 peak 7492 weight  0.1000E+01 volume 41.01720 ppm1 2.373 ppm2 2.820
ASSI {  7502}
  (( segid "PROT" and resid 110  and name HB2  ))
  (( segid "PROT" and resid 110  and name HG1  ))
     6 6 0 peak 7502 weight  0.1000E+01 volume 66.13920 ppm1 2.162 ppm2 2.822
ASSI {  7512}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 110  and name HG2  ))
     6 6 0 peak 7512 weight  0.1000E+01 volume 20.81930 ppm1 0.721 ppm2 2.523
ASSI {  7522}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 110  and name HG1  ))
     6 6 0 peak 7522 weight  0.1000E+01 volume 10.25810 ppm1 0.720 ppm2 2.817
ASSI {  7532}
  (( segid "PROT" and resid 19  and name HB1  ))
  (( segid "PROT" and resid 19  and name HA  ))
     6 6 0 peak 7532 weight  0.1000E+01 volume 68.32680 ppm1 2.212 ppm2 4.411
ASSI {  7542}
  (( segid "PROT" and resid 22  and name HD2#  ))
  (( segid "PROT" and resid 19  and name HA  ))
     6 6 0 peak 7542 weight  0.1000E+01 volume 10.70920 ppm1 1.084 ppm2 4.409
ASSI {  7552}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 114  and name HA  ))
     6 6 0 peak 7552 weight  0.1000E+01 volume 17.02430 ppm1 0.717 ppm2 4.548
ASSI {  7562}
  (( segid "PROT" and resid 19  and name HA  ))
  (( segid "PROT" and resid 19  and name HB1  ))
     6 6 0 peak 7562 weight  0.1000E+01 volume 65.80720 ppm1 4.426 ppm2 2.215
ASSI {  7572}
  (( segid "PROT" and resid 19  and name HA  ))
  (( segid "PROT" and resid 19  and name HG1  ))
     6 6 0 peak 7572 weight  0.1000E+01 volume 18.64750 ppm1 4.422 ppm2 2.660
ASSI {  7582}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 36  and name HA  ))
     6 6 0 peak 7582 weight  0.1000E+01 volume 6.80480 ppm1 6.607 ppm2 3.963
ASSI {  7592}
  (( segid "PROT" and resid 83  and name HD1#  ))
  (( segid "PROT" and resid 80  and name HA  ))
     6 6 0 peak 7592 weight  0.1000E+01 volume 20.34570 ppm1 0.885 ppm2 4.552
ASSI {  7602}
  (( segid "PROT" and resid 83  and name HD2#  ))
  (( segid "PROT" and resid 80  and name HA  ))
     6 6 0 peak 7602 weight  0.1000E+01 volume 8.21410 ppm1 1.106 ppm2 4.558
ASSI {  7612}
  (( segid "PROT" and resid 83  and name HD2#  ))
  (( segid "PROT" and resid 83  and name HA  ))
     6 6 0 peak 7612 weight  0.1000E+01 volume 71.79300 ppm1 1.106 ppm2 4.237
ASSI {  7622}
  (( segid "PROT" and resid 86  and name HB1  ))
  (( segid "PROT" and resid 83  and name HA  ))
     6 6 0 peak 7622 weight  0.1000E+01 volume 15.42830 ppm1 3.121 ppm2 4.232
ASSI {  7632}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 85  and name HA  ))
     6 6 0 peak 7632 weight  0.1000E+01 volume 38.86450 ppm1 6.056 ppm2 4.179
ASSI {  7642}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 98  and name HA  ))
     6 6 0 peak 7642 weight  0.1000E+01 volume 10.29530 ppm1 7.095 ppm2 3.292
ASSI {  7652}
  (( segid "PROT" and resid 109  and name HB2  ))
  (( segid "PROT" and resid 106  and name HA  ))
     6 6 0 peak 7652 weight  0.1000E+01 volume 12.01920 ppm1 3.061 ppm2 3.424
ASSI {  7662}
  (( segid "PROT" and resid 90  and name HD2#  ))
  (( segid "PROT" and resid 90  and name HB2  ))
     6 6 0 peak 7662 weight  0.1000E+01 volume 102.93980 ppm1 0.986 ppm2 1.826
ASSI {  7672}
  (( segid "PROT" and resid 65  and name HD2  ))
  (( segid "PROT" and resid 65  and name HE1  ))
     6 6 0 peak 7672 weight  0.1000E+01 volume 42.35620 ppm1 1.346 ppm2 2.371
ASSI {  7682}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 9  and name HB1  ))
     6 6 0 peak 7682 weight  0.1000E+01 volume 12.43030 ppm1 0.354 ppm2 2.860
ASSI {  7692}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 9  and name HB1  ))
     6 6 0 peak 7692 weight  0.1000E+01 volume 11.29940 ppm1 0.268 ppm2 2.857
ASSI {  7702}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 14  and name HB2  ))
     6 6 0 peak 7702 weight  0.1000E+01 volume 66.68630 ppm1 0.268 ppm2 1.312
ASSI {  7712}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 80  and name HB1  ))
     6 6 0 peak 7712 weight  0.1000E+01 volume 2.80540 ppm1 0.350 ppm2 2.790
ASSI {  7722}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 80  and name HB2  ))
     6 6 0 peak 7722 weight  0.1000E+01 volume 3.64700 ppm1 0.348 ppm2 2.504
ASSI {  7732}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 109  and name HB1  ))
     6 6 0 peak 7732 weight  0.1000E+01 volume 7.87190 ppm1 7.046 ppm2 3.346
ASSI {  7742}
  (( segid "PROT" and resid 109  and name HA  ))
  (( segid "PROT" and resid 109  and name HB2  ))
     6 6 0 peak 7742 weight  0.1000E+01 volume 16.33290 ppm1 4.025 ppm2 3.346
ASSI {  7752}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 35  and name HB2  ))
     6 6 0 peak 7752 weight  0.1000E+01 volume 4.02490 ppm1 0.232 ppm2 2.629
ASSI {  7762}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 109  and name HB2  ))
     6 6 0 peak 7762 weight  0.1000E+01 volume 9.40150 ppm1 0.897 ppm2 3.066
ASSI {  7772}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 109  and name HB1  ))
     6 6 0 peak 7772 weight  0.1000E+01 volume 6.43740 ppm1 0.896 ppm2 3.339
ASSI {  7782}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 109  and name HB2  ))
     6 6 0 peak 7782 weight  0.1000E+01 volume 13.97380 ppm1 6.054 ppm2 3.059
ASSI {  7792}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 35  and name HB1  ))
     6 6 0 peak 7792 weight  0.1000E+01 volume 5.27410 ppm1 7.375 ppm2 3.846
ASSI {  7802}
  (( segid "PROT" and resid 109  and name HA  ))
  (( segid "PROT" and resid 109  and name HB1  ))
     6 6 0 peak 7802 weight  0.1000E+01 volume 5.27780 ppm1 4.034 ppm2 3.050
ASSI {  7812}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 35  and name HB1  ))
     6 6 0 peak 7812 weight  0.1000E+01 volume 1.45930 ppm1 0.231 ppm2 3.846
ASSI {  7822}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 109  and name HB2  ))
     6 6 0 peak 7822 weight  0.1000E+01 volume 5.11750 ppm1 7.052 ppm2 3.065
ASSI {  7832}
  (( segid "PROT" and resid 34  and name HD1  ))
  (( segid "PROT" and resid 33  and name HB2  ))
     6 6 0 peak 7832 weight  0.1000E+01 volume 26.67930 ppm1 3.839 ppm2 1.598
ASSI {  7842}
  (( segid "PROT" and resid 33  and name HA  ))
  (( segid "PROT" and resid 33  and name HB2  ))
     6 6 0 peak 7842 weight  0.1000E+01 volume 28.33770 ppm1 3.914 ppm2 1.598
ASSI {  7852}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 77  and name HB2  ))
     6 6 0 peak 7852 weight  0.1000E+01 volume 5.74540 ppm1 6.743 ppm2 1.778
ASSI {  7862}
  (( segid "PROT" and resid 77  and name HA  ))
  (( segid "PROT" and resid 77  and name HB2  ))
     6 6 0 peak 7862 weight  0.1000E+01 volume 23.56720 ppm1 3.387 ppm2 1.776
ASSI {  7872}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 77  and name HB2  ))
     6 6 0 peak 7872 weight  0.1000E+01 volume 16.61380 ppm1 0.233 ppm2 1.783
ASSI {  7882}
  (( segid "PROT" and resid 77  and name HB2  ))
  (( segid "PROT" and resid 77  and name HB1  ))
     6 6 0 peak 7882 weight  0.1000E+01 volume 37.29020 ppm1 1.772 ppm2 2.635
ASSI {  7892}
  (( segid "PROT" and resid 77  and name HA  ))
  (( segid "PROT" and resid 77  and name HB1  ))
     6 6 0 peak 7892 weight  0.1000E+01 volume 27.99290 ppm1 3.384 ppm2 2.640
ASSI {  7902}
  (( segid "PROT" and resid 7  and name HG2  ))
  (( segid "PROT" and resid 7  and name HB1  ))
     6 6 0 peak 7902 weight  0.1000E+01 volume 61.12390 ppm1 0.964 ppm2 1.603
ASSI {  7912}
  (( segid "PROT" and resid 7  and name HG1  ))
  (( segid "PROT" and resid 7  and name HB1  ))
     6 6 0 peak 7912 weight  0.1000E+01 volume 74.43580 ppm1 1.097 ppm2 1.602
ASSI {  7922}
  (( segid "PROT" and resid 7  and name HA  ))
  (( segid "PROT" and resid 7  and name HB1  ))
     6 6 0 peak 7922 weight  0.1000E+01 volume 246.83611 ppm1 4.238 ppm2 1.609
ASSI {  7932}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 7  and name HB1  ))
     6 6 0 peak 7932 weight  0.1000E+01 volume 28.31920 ppm1 7.392 ppm2 1.604
ASSI {  7942}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 28  and name HG1  ))
     6 6 0 peak 7942 weight  0.1000E+01 volume 9.32510 ppm1 0.568 ppm2 2.800
ASSI {  7952}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 28  and name HG1  ))
     6 6 0 peak 7952 weight  0.1000E+01 volume 3.66990 ppm1 0.956 ppm2 2.800
ASSI {  7962}
  (( segid "PROT" and resid 28  and name HA  ))
  (( segid "PROT" and resid 28  and name HG1  ))
     6 6 0 peak 7962 weight  0.1000E+01 volume 5.42670 ppm1 4.113 ppm2 2.794
ASSI {  7972}
  (( segid "PROT" and resid 118  and name HA  ))
  (( segid "PROT" and resid 118  and name HG2  ))
     6 6 0 peak 7972 weight  0.1000E+01 volume 176.77390 ppm1 4.112 ppm2 2.417
ASSI {  7982}
  (( segid "PROT" and resid 50  and name HA  ))
  (( segid "PROT" and resid 53  and name HB  ))
     6 6 0 peak 7982 weight  0.1000E+01 volume 6.57230 ppm1 4.977 ppm2 1.024
ASSI {  7992}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 62  and name HG11  ))
     6 6 0 peak 7992 weight  0.1000E+01 volume 22.32890 ppm1 0.347 ppm2 1.892
ASSI {  8002}
  (( segid "PROT" and resid 90  and name HD2#  ))
  (( segid "PROT" and resid 90  and name HG  ))
     6 6 0 peak 8002 weight  0.1000E+01 volume 181.41299 ppm1 0.983 ppm2 1.413
ASSI {  8012}
  (( segid "PROT" and resid 84  and name HE#  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 8012 weight  0.1000E+01 volume 23.46040 ppm1 1.203 ppm2 0.232
ASSI {  8022}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 8022 weight  0.1000E+01 volume 23.41340 ppm1 -1.491 ppm2 0.898
ASSI {  8032}
  (( segid "PROT" and resid 25  and name HG  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 8032 weight  0.1000E+01 volume 88.09440 ppm1 2.383 ppm2 0.894
ASSI {  8042}
  (( segid "PROT" and resid 25  and name HA  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 8042 weight  0.1000E+01 volume 131.46170 ppm1 4.104 ppm2 0.896
ASSI {  8052}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 8052 weight  0.1000E+01 volume 68.92910 ppm1 7.044 ppm2 0.888
ASSI {  8062}
  (( segid "PROT" and resid 19  and name HB1  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 8062 weight  0.1000E+01 volume 32.98010 ppm1 2.218 ppm2 0.831
ASSI {  8072}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 8072 weight  0.1000E+01 volume 32.69140 ppm1 0.740 ppm2 0.231
ASSI {  8082}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 8082 weight  0.1000E+01 volume 47.22320 ppm1 0.837 ppm2 0.231
ASSI {  8092}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 8092 weight  0.1000E+01 volume 10.63390 ppm1 -1.491 ppm2 1.262
ASSI {  8102}
  (( segid "PROT" and resid 113  and name HA  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 8102 weight  0.1000E+01 volume 29.06940 ppm1 4.092 ppm2 0.775
ASSI {  8112}
  (( segid "PROT" and resid 87  and name HA  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 8112 weight  0.1000E+01 volume 36.29260 ppm1 4.456 ppm2 0.444
ASSI {  8122}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 8122 weight  0.1000E+01 volume 119.20950 ppm1 -0.260 ppm2 -1.498
ASSI {  8132}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 8132 weight  0.1000E+01 volume 206.84270 ppm1 -1.495 ppm2 -0.261
ASSI {  8142}
  (( segid "PROT" and resid 108  and name HG2#  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 8142 weight  0.1000E+01 volume 112.00890 ppm1 0.871 ppm2 1.412
ASSI {  8152}
  (( segid "PROT" and resid 81  and name HA  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 8152 weight  0.1000E+01 volume 72.21630 ppm1 2.479 ppm2 0.342
ASSI {  8162}
  (( segid "PROT" and resid 117  and name HG2  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 8162 weight  0.1000E+01 volume 11.51490 ppm1 2.509 ppm2 0.890
ASSI {  8172}
  (( segid "PROT" and resid 116  and name HB  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 8172 weight  0.1000E+01 volume 29.87400 ppm1 2.068 ppm2 0.888
ASSI {  8182}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 8182 weight  0.1000E+01 volume 142.12590 ppm1 1.300 ppm2 0.887
ASSI {  8192}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 8192 weight  0.1000E+01 volume 165.98660 ppm1 0.718 ppm2 0.889
ASSI {  8202}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 8202 weight  0.1000E+01 volume 12.85800 ppm1 0.235 ppm2 0.888
ASSI {  8212}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 8212 weight  0.1000E+01 volume 54.47260 ppm1 6.613 ppm2 0.890
ASSI {  8222}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 8222 weight  0.1000E+01 volume 12.41300 ppm1 6.734 ppm2 0.890
ASSI {  8232}
  (( segid "PROT" and resid 109  and name HZ  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 8232 weight  0.1000E+01 volume 22.88290 ppm1 6.852 ppm2 0.887
ASSI {  8242}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 8242 weight  0.1000E+01 volume 7.82260 ppm1 7.055 ppm2 0.889
ASSI {  8252}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 8252 weight  0.1000E+01 volume 28.94980 ppm1 7.190 ppm2 0.888
ASSI {  8262}
  (( segid "PROT" and resid 46  and name HB  ))
  (( segid "PROT" and resid 46  and name HG2#  ))
     6 6 0 peak 8262 weight  0.1000E+01 volume 9.49780 ppm1 2.266 ppm2 0.749
ASSI {  8272}
  (( segid "PROT" and resid 46  and name HA  ))
  (( segid "PROT" and resid 46  and name HG2#  ))
     6 6 0 peak 8272 weight  0.1000E+01 volume 19.65360 ppm1 4.880 ppm2 0.750
ASSI {  8282}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "PROT" and resid 46  and name HG2#  ))
     6 6 0 peak 8282 weight  0.1000E+01 volume 9.97770 ppm1 6.707 ppm2 0.734
ASSI {  8292}
  (( segid "PROT" and resid 113  and name HG11  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 8292 weight  0.1000E+01 volume 63.07410 ppm1 1.219 ppm2 0.772
ASSI {  8302}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 105  and name HB2  ))
     6 6 0 peak 8302 weight  0.1000E+01 volume 10.68170 ppm1 0.394 ppm2 1.105
ASSI {  8312}
  (( segid "PROT" and resid 29  and name HB2  ))
  (( segid "PROT" and resid 30  and name HA  ))
     6 6 0 peak 8312 weight  0.1000E+01 volume 5.64760 ppm1 2.256 ppm2 5.037
ASSI {  8322}
  (( segid "PROT" and resid 33  and name HB1  ))
  (( segid "PROT" and resid 30  and name HA  ))
     6 6 0 peak 8322 weight  0.1000E+01 volume 26.70900 ppm1 2.111 ppm2 5.039
ASSI {  8332}
  (( segid "PROT" and resid 33  and name HD1#  ))
  (( segid "PROT" and resid 30  and name HA  ))
     6 6 0 peak 8332 weight  0.1000E+01 volume 8.14900 ppm1 0.967 ppm2 5.043
ASSI {  8342}
  (( segid "PROT" and resid 33  and name HG  ))
  (( segid "PROT" and resid 30  and name HA  ))
     6 6 0 peak 8342 weight  0.1000E+01 volume 6.89820 ppm1 1.683 ppm2 5.045
ASSI {  8352}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 110  and name HA  ))
     6 6 0 peak 8352 weight  0.1000E+01 volume 7.13880 ppm1 6.975 ppm2 4.014
ASSI {  8362}
  (( segid "PROT" and resid 110  and name HG1  ))
  (( segid "PROT" and resid 110  and name HA  ))
     6 6 0 peak 8362 weight  0.1000E+01 volume 22.14250 ppm1 2.834 ppm2 4.012
ASSI {  8372}
  (( segid "PROT" and resid 26  and name HB1  ))
  (( segid "PROT" and resid 23  and name HA  ))
     6 6 0 peak 8372 weight  0.1000E+01 volume 44.53830 ppm1 2.897 ppm2 4.016
ASSI {  8382}
  (( segid "PROT" and resid 89  and name HZ2  ))
  (( segid "PROT" and resid 103  and name HA  ))
     6 6 0 peak 8382 weight  0.1000E+01 volume 25.79350 ppm1 6.962 ppm2 4.453
ASSI {  8392}
  (( segid "PROT" and resid 11  and name HA  ))
  (( segid "PROT" and resid 11  and name HD1  ))
     6 6 0 peak 8392 weight  0.1000E+01 volume 3.26160 ppm1 4.232 ppm2 3.923
ASSI {  8402}
  (( segid "PROT" and resid 11  and name HB1  ))
  (( segid "PROT" and resid 11  and name HD1  ))
     6 6 0 peak 8402 weight  0.1000E+01 volume 9.13100 ppm1 2.440 ppm2 3.941
ASSI {  8412}
  (( segid "PROT" and resid 11  and name HG1  ))
  (( segid "PROT" and resid 11  and name HD1  ))
     6 6 0 peak 8412 weight  0.1000E+01 volume 36.59800 ppm1 2.289 ppm2 3.936
ASSI {  8422}
  (( segid "PROT" and resid 11  and name HG2  ))
  (( segid "PROT" and resid 11  and name HD1  ))
     6 6 0 peak 8422 weight  0.1000E+01 volume 31.42280 ppm1 2.191 ppm2 3.936
ASSI {  8432}
  (( segid "PROT" and resid 10  and name HB2  ))
  (( segid "PROT" and resid 11  and name HD2  ))
     6 6 0 peak 8432 weight  0.1000E+01 volume 10.02950 ppm1 1.663 ppm2 3.930
ASSI {  8442}
  (( segid "PROT" and resid 11  and name HD1  ))
  (( segid "PROT" and resid 10  and name HA  ))
     6 6 0 peak 8442 weight  0.1000E+01 volume 15.09080 ppm1 3.985 ppm2 4.680
ASSI {  8452}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 59  and name HB2  ))
     6 6 0 peak 8452 weight  0.1000E+01 volume 19.70060 ppm1 0.239 ppm2 1.352
ASSI {  8462}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 101  and name HA  ))
     6 6 0 peak 8462 weight  0.1000E+01 volume 11.98860 ppm1 7.098 ppm2 4.498
ASSI {  8472}
  (( segid "PROT" and resid 101  and name HE1  ))
  (( segid "PROT" and resid 101  and name HA  ))
     6 6 0 peak 8472 weight  0.1000E+01 volume 6.72440 ppm1 7.327 ppm2 4.505
ASSI {  8482}
  (( segid "PROT" and resid 101  and name HB1  ))
  (( segid "PROT" and resid 101  and name HA  ))
     6 6 0 peak 8482 weight  0.1000E+01 volume 1.52300 ppm1 3.915 ppm2 4.498
ASSI {  8492}
  (( segid "PROT" and resid 104  and name HB2  ))
  (( segid "PROT" and resid 101  and name HA  ))
     6 6 0 peak 8492 weight  0.1000E+01 volume 2.42640 ppm1 2.008 ppm2 4.500
ASSI {  8502}
  (( segid "PROT" and resid 31  and name HG1  ))
  (( segid "PROT" and resid 101  and name HA  ))
     6 6 0 peak 8502 weight  0.1000E+01 volume 1.73960 ppm1 2.298 ppm2 4.512
ASSI {  8512}
  (( segid "PROT" and resid 31  and name HB1  ))
  (( segid "PROT" and resid 101  and name HA  ))
     6 6 0 peak 8512 weight  0.1000E+01 volume 2.51460 ppm1 1.587 ppm2 4.507
ASSI {  8522}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 26  and name HB1  ))
     6 6 0 peak 8522 weight  0.1000E+01 volume 1.35000 ppm1 0.236 ppm2 2.900
ASSI {  8532}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 8532 weight  0.1000E+01 volume 10.86410 ppm1 6.709 ppm2 3.585
ASSI {  8542}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 8542 weight  0.1000E+01 volume 1.13110 ppm1 6.148 ppm2 3.585
ASSI {  8552}
  (( segid "PROT" and resid 49  and name HD1  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 8552 weight  0.1000E+01 volume 0.92530 ppm1 5.447 ppm2 3.577
ASSI {  8562}
  (( segid "PROT" and resid 52  and name HB  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 8562 weight  0.1000E+01 volume 1.06430 ppm1 1.829 ppm2 3.576
ASSI {  8572}
  (( segid "PROT" and resid 52  and name HG2#  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 8572 weight  0.1000E+01 volume 1.30380 ppm1 1.003 ppm2 3.568
ASSI {  8582}
  (( segid "PROT" and resid 49  and name HD1  ))
  (( segid "PROT" and resid 49  and name HB2  ))
     6 6 0 peak 8582 weight  0.1000E+01 volume 1.13800 ppm1 5.423 ppm2 1.969
ASSI {  8592}
  (( segid "PROT" and resid 49  and name HA  ))
  (( segid "PROT" and resid 49  and name HB2  ))
     6 6 0 peak 8592 weight  0.1000E+01 volume 3.12780 ppm1 3.591 ppm2 1.979
ASSI {  8602}
  (( segid "PROT" and resid 77  and name HB2  ))
  (( segid "PROT" and resid 77  and name HA  ))
     6 6 0 peak 8602 weight  0.1000E+01 volume 18.21600 ppm1 1.777 ppm2 3.381
ASSI {  8612}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 77  and name HA  ))
     6 6 0 peak 8612 weight  0.1000E+01 volume 2.40300 ppm1 6.619 ppm2 3.383
ASSI {  8622}
  (( segid "PROT" and resid 71  and name HD1  ))
  (( segid "PROT" and resid 71  and name HB1  ))
     6 6 0 peak 8622 weight  0.1000E+01 volume 3.45550 ppm1 6.868 ppm2 2.693
ASSI {  8632}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 77  and name HB2  ))
     6 6 0 peak 8632 weight  0.1000E+01 volume 1.04970 ppm1 6.640 ppm2 1.780
ASSI {  8642}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "PROT" and resid 91  and name HB1  ))
     6 6 0 peak 8642 weight  0.1000E+01 volume 3.44820 ppm1 6.932 ppm2 2.962
ASSI {  8652}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "PROT" and resid 91  and name HB2  ))
     6 6 0 peak 8652 weight  0.1000E+01 volume 3.37150 ppm1 6.934 ppm2 2.901
ASSI {  8662}
  (( segid "PROT" and resid 91  and name HA  ))
  (( segid "PROT" and resid 91  and name HB2  ))
     6 6 0 peak 8662 weight  0.1000E+01 volume 3.36910 ppm1 4.010 ppm2 2.910
ASSI {  8672}
  (( segid "PROT" and resid 91  and name HA  ))
  (( segid "PROT" and resid 91  and name HB1  ))
     6 6 0 peak 8672 weight  0.1000E+01 volume 3.67120 ppm1 4.008 ppm2 2.977
ASSI {  8682}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 91  and name HB2  ))
     6 6 0 peak 8682 weight  0.1000E+01 volume 2.47070 ppm1 0.446 ppm2 2.911
ASSI {  8692}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 91  and name HB1  ))
     6 6 0 peak 8692 weight  0.1000E+01 volume 2.97440 ppm1 0.445 ppm2 2.970
ASSI {  8702}
  (( segid "PROT" and resid 52  and name HG2#  ))
  (( segid "PROT" and resid 91  and name HB1  ))
     6 6 0 peak 8702 weight  0.1000E+01 volume 2.23900 ppm1 0.993 ppm2 2.967
ASSI {  8712}
  (( segid "PROT" and resid 52  and name HG2#  ))
  (( segid "PROT" and resid 91  and name HB2  ))
     6 6 0 peak 8712 weight  0.1000E+01 volume 2.57370 ppm1 0.994 ppm2 2.915
ASSI {  8722}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "PROT" and resid 91  and name HA  ))
     6 6 0 peak 8722 weight  0.1000E+01 volume 3.88660 ppm1 6.707 ppm2 4.006
ASSI {  8732}
  (( segid "PROT" and resid 109  and name HB2  ))
  (( segid "PROT" and resid 109  and name HA  ))
     6 6 0 peak 8732 weight  0.1000E+01 volume 4.04440 ppm1 3.056 ppm2 4.021
ASSI {  8742}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 109  and name HA  ))
     6 6 0 peak 8742 weight  0.1000E+01 volume 15.23610 ppm1 7.038 ppm2 4.028
ASSI {  8752}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 109  and name HB1  ))
     6 6 0 peak 8752 weight  0.1000E+01 volume 5.53550 ppm1 6.063 ppm2 3.338
ASSI {  8762}
  (( segid "PROT" and resid 109  and name HB1  ))
  (( segid "PROT" and resid 109  and name HB2  ))
     6 6 0 peak 8762 weight  0.1000E+01 volume 4.99460 ppm1 3.344 ppm2 3.065
ASSI {  8772}
  (( segid "PROT" and resid 106  and name HA  ))
  (( segid "PROT" and resid 109  and name HB2  ))
     6 6 0 peak 8772 weight  0.1000E+01 volume 0.98400 ppm1 3.420 ppm2 3.063
ASSI {  8782}
  (( segid "PROT" and resid 106  and name HA  ))
  (( segid "PROT" and resid 109  and name HB1  ))
     6 6 0 peak 8782 weight  0.1000E+01 volume 2.06380 ppm1 3.425 ppm2 3.349
ASSI {  8792}
  (( segid "PROT" and resid 109  and name HB2  ))
  (( segid "PROT" and resid 109  and name HB1  ))
     6 6 0 peak 8792 weight  0.1000E+01 volume 2.40750 ppm1 3.053 ppm2 3.342
ASSI {  8802}
  (( segid "PROT" and resid 109  and name HB1  ))
  (( segid "PROT" and resid 109  and name HA  ))
     6 6 0 peak 8802 weight  0.1000E+01 volume 7.52430 ppm1 3.344 ppm2 4.023
ASSI {  8812}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 101  and name HB1  ))
     6 6 0 peak 8812 weight  0.1000E+01 volume 1.62140 ppm1 7.090 ppm2 3.922
ASSI {  8822}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 101  and name HB2  ))
     6 6 0 peak 8822 weight  0.1000E+01 volume 2.79050 ppm1 7.099 ppm2 3.673
ASSI {  8832}
  (( segid "PROT" and resid 101  and name HE1  ))
  (( segid "PROT" and resid 101  and name HB2  ))
     6 6 0 peak 8832 weight  0.1000E+01 volume 2.50990 ppm1 7.353 ppm2 3.659
ASSI {  8842}
  (( segid "PROT" and resid 101  and name HE1  ))
  (( segid "PROT" and resid 101  and name HB1  ))
     6 6 0 peak 8842 weight  0.1000E+01 volume 1.59510 ppm1 7.342 ppm2 3.910
ASSI {  8852}
  (( segid "PROT" and resid 101  and name HB1  ))
  (( segid "PROT" and resid 101  and name HB2  ))
     6 6 0 peak 8852 weight  0.1000E+01 volume 2.41940 ppm1 3.921 ppm2 3.669
ASSI {  8862}
  (( segid "PROT" and resid 101  and name HB2  ))
  (( segid "PROT" and resid 101  and name HB1  ))
     6 6 0 peak 8862 weight  0.1000E+01 volume 1.50700 ppm1 3.667 ppm2 3.916
ASSI {  8872}
  (( segid "PROT" and resid 98  and name HA  ))
  (( segid "PROT" and resid 101  and name HB2  ))
     6 6 0 peak 8872 weight  0.1000E+01 volume 1.58310 ppm1 3.289 ppm2 3.672
ASSI {  8882}
  (( segid "PROT" and resid 98  and name HA  ))
  (( segid "PROT" and resid 101  and name HB1  ))
     6 6 0 peak 8882 weight  0.1000E+01 volume 0.95860 ppm1 3.283 ppm2 3.919
ASSI {  8892}
  (( segid "PROT" and resid 99  and name HD1  ))
  (( segid "PROT" and resid 99  and name HB1  ))
     6 6 0 peak 8892 weight  0.1000E+01 volume 3.71520 ppm1 7.125 ppm2 3.409
ASSI {  8902}
  (( segid "PROT" and resid 82  and name HB2  ))
  (( segid "PROT" and resid 82  and name HB1  ))
     6 6 0 peak 8902 weight  0.1000E+01 volume 23.84520 ppm1 3.099 ppm2 3.303
ASSI {  8912}
  (( segid "PROT" and resid 82  and name HB1  ))
  (( segid "PROT" and resid 82  and name HB2  ))
     6 6 0 peak 8912 weight  0.1000E+01 volume 23.64630 ppm1 3.295 ppm2 3.099
ASSI {  8922}
  (( segid "PROT" and resid 79  and name HA  ))
  (( segid "PROT" and resid 82  and name HB1  ))
     6 6 0 peak 8922 weight  0.1000E+01 volume 1.43860 ppm1 4.555 ppm2 3.295
ASSI {  8932}
  (( segid "PROT" and resid 79  and name HA  ))
  (( segid "PROT" and resid 82  and name HB2  ))
     6 6 0 peak 8932 weight  0.1000E+01 volume 2.09880 ppm1 4.552 ppm2 3.111
ASSI {  8942}
  (( segid "PROT" and resid 82  and name HB1  ))
  (( segid "PROT" and resid 79  and name HA  ))
     6 6 0 peak 8942 weight  0.1000E+01 volume 2.17290 ppm1 3.295 ppm2 4.540
ASSI {  8952}
  (( segid "PROT" and resid 82  and name HB2  ))
  (( segid "PROT" and resid 79  and name HA  ))
     6 6 0 peak 8952 weight  0.1000E+01 volume 0.71310 ppm1 3.108 ppm2 4.550
ASSI {  8962}
  (( segid "PROT" and resid 79  and name HB1  ))
  (( segid "PROT" and resid 79  and name HA  ))
     6 6 0 peak 8962 weight  0.1000E+01 volume 10.29950 ppm1 2.855 ppm2 4.560
ASSI {  8972}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 79  and name HA  ))
     6 6 0 peak 8972 weight  0.1000E+01 volume 1.42910 ppm1 7.475 ppm2 4.536
ASSI {  8982}
  (( segid "PROT" and resid 103  and name HB2  ))
  (( segid "PROT" and resid 103  and name HA  ))
     6 6 0 peak 8982 weight  0.1000E+01 volume 4.24080 ppm1 4.107 ppm2 4.445
ASSI {  8992}
  (( segid "PROT" and resid 103  and name HB1  ))
  (( segid "PROT" and resid 103  and name HA  ))
     6 6 0 peak 8992 weight  0.1000E+01 volume 4.49460 ppm1 4.259 ppm2 4.447
ASSI {  9002}
  (( segid "PROT" and resid 106  and name HB#  ))
  (( segid "PROT" and resid 103  and name HA  ))
     6 6 0 peak 9002 weight  0.1000E+01 volume 5.12920 ppm1 0.928 ppm2 4.455
ASSI {  9012}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 100  and name HA  ))
     6 6 0 peak 9012 weight  0.1000E+01 volume 0.91340 ppm1 7.129 ppm2 4.332
ASSI {  9022}
  (( segid "PROT" and resid 99  and name HD1  ))
  (( segid "PROT" and resid 99  and name HB2  ))
     6 6 0 peak 9022 weight  0.1000E+01 volume 2.35620 ppm1 7.133 ppm2 2.600
ASSI {  9032}
  (( segid "PROT" and resid 99  and name HB1  ))
  (( segid "PROT" and resid 99  and name HB2  ))
     6 6 0 peak 9032 weight  0.1000E+01 volume 9.14350 ppm1 3.405 ppm2 2.607
ASSI {  9042}
  (( segid "PROT" and resid 99  and name HA  ))
  (( segid "PROT" and resid 99  and name HB2  ))
     6 6 0 peak 9042 weight  0.1000E+01 volume 1.69660 ppm1 3.776 ppm2 2.598
ASSI {  9052}
  (( segid "PROT" and resid 99  and name HA  ))
  (( segid "PROT" and resid 99  and name HB1  ))
     6 6 0 peak 9052 weight  0.1000E+01 volume 2.64600 ppm1 3.783 ppm2 3.411
ASSI {  9062}
  (( segid "PROT" and resid 99  and name HB2  ))
  (( segid "PROT" and resid 99  and name HB1  ))
     6 6 0 peak 9062 weight  0.1000E+01 volume 5.39780 ppm1 2.604 ppm2 3.407
ASSI {  9072}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 85  and name HB1  ))
     6 6 0 peak 9072 weight  0.1000E+01 volume 5.13290 ppm1 6.052 ppm2 2.495
ASSI {  9082}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 85  and name HB2  ))
     6 6 0 peak 9082 weight  0.1000E+01 volume 5.35040 ppm1 6.048 ppm2 1.450
ASSI {  9092}
  (( segid "PROT" and resid 85  and name HA  ))
  (( segid "PROT" and resid 85  and name HB2  ))
     6 6 0 peak 9092 weight  0.1000E+01 volume 2.87950 ppm1 4.170 ppm2 1.465
ASSI {  9102}
  (( segid "PROT" and resid 82  and name HA  ))
  (( segid "PROT" and resid 85  and name HB2  ))
     6 6 0 peak 9102 weight  0.1000E+01 volume 1.27720 ppm1 3.979 ppm2 1.455
ASSI {  9112}
  (( segid "PROT" and resid 85  and name HB2  ))
  (( segid "PROT" and resid 85  and name HB1  ))
     6 6 0 peak 9112 weight  0.1000E+01 volume 3.37650 ppm1 1.459 ppm2 2.481
ASSI {  9122}
  (( segid "PROT" and resid 85  and name HB1  ))
  (( segid "PROT" and resid 85  and name HB2  ))
     6 6 0 peak 9122 weight  0.1000E+01 volume 4.33890 ppm1 2.491 ppm2 1.455
ASSI {  9132}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 9132 weight  0.1000E+01 volume 4.48960 ppm1 6.053 ppm2 1.743
ASSI {  9142}
  (( segid "PROT" and resid 50  and name HB2  ))
  (( segid "PROT" and resid 50  and name HB1  ))
     6 6 0 peak 9142 weight  0.1000E+01 volume 13.62740 ppm1 2.946 ppm2 3.470
ASSI {  9152}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 35  and name HB2  ))
     6 6 0 peak 9152 weight  0.1000E+01 volume 0.63670 ppm1 7.374 ppm2 2.626
ASSI {  9162}
  (( segid "PROT" and resid 35  and name HB1  ))
  (( segid "PROT" and resid 35  and name HB2  ))
     6 6 0 peak 9162 weight  0.1000E+01 volume 3.69570 ppm1 3.845 ppm2 2.624
ASSI {  9172}
  (( segid "PROT" and resid 35  and name HB1  ))
  (( segid "PROT" and resid 35  and name HA  ))
     6 6 0 peak 9172 weight  0.1000E+01 volume 1.16500 ppm1 3.840 ppm2 4.752
ASSI {  9182}
  (( segid "PROT" and resid 35  and name HD1  ))
  (( segid "PROT" and resid 35  and name HA  ))
     6 6 0 peak 9182 weight  0.1000E+01 volume 1.56940 ppm1 7.364 ppm2 4.752
ASSI {  9192}
  (( segid "PROT" and resid 57  and name HE#  ))
  (( segid "PROT" and resid 61  and name HB  ))
     6 6 0 peak 9192 weight  0.1000E+01 volume 2.64110 ppm1 1.986 ppm2 4.220
ASSI {  9202}
  (( segid "PROT" and resid 61  and name HB  ))
  (( segid "PROT" and resid 61  and name HA  ))
     6 6 0 peak 9202 weight  0.1000E+01 volume 8.61410 ppm1 4.226 ppm2 3.878
ASSI {  9212}
  (( segid "PROT" and resid 61  and name HG2#  ))
  (( segid "PROT" and resid 61  and name HA  ))
     6 6 0 peak 9212 weight  0.1000E+01 volume 15.56760 ppm1 1.139 ppm2 3.879
ASSI {  9222}
  (( segid "PROT" and resid 94  and name HG2  ))
  (( segid "PROT" and resid 94  and name HA  ))
     6 6 0 peak 9222 weight  0.1000E+01 volume 10.25530 ppm1 1.057 ppm2 2.175
ASSI {  9232}
  (( segid "PROT" and resid 94  and name HG1  ))
  (( segid "PROT" and resid 94  and name HA  ))
     6 6 0 peak 9232 weight  0.1000E+01 volume 6.88100 ppm1 1.168 ppm2 2.180
ASSI {  9242}
  (( segid "PROT" and resid 94  and name HB2  ))
  (( segid "PROT" and resid 94  and name HA  ))
     6 6 0 peak 9242 weight  0.1000E+01 volume 8.15140 ppm1 1.371 ppm2 2.181
ASSI {  9252}
  (( segid "PROT" and resid 94  and name HB1  ))
  (( segid "PROT" and resid 94  and name HA  ))
     6 6 0 peak 9252 weight  0.1000E+01 volume 3.42100 ppm1 1.431 ppm2 2.181
ASSI {  9262}
  (( segid "PROT" and resid 96  and name HB2  ))
  (( segid "PROT" and resid 96  and name HA  ))
     6 6 0 peak 9262 weight  0.1000E+01 volume 6.74240 ppm1 3.998 ppm2 4.422
ASSI {  9282}
  (( segid "PROT" and resid 46  and name HG2#  ))
  (( segid "PROT" and resid 46  and name HA  ))
     6 6 0 peak 9282 weight  0.1000E+01 volume 2.74460 ppm1 0.743 ppm2 4.877
ASSI {  9292}
  (( segid "PROT" and resid 47  and name HG1  ))
  (( segid "PROT" and resid 46  and name HA  ))
     6 6 0 peak 9292 weight  0.1000E+01 volume 0.79000 ppm1 1.932 ppm2 4.871
ASSI {  9302}
  (( segid "PROT" and resid 46  and name HB  ))
  (( segid "PROT" and resid 46  and name HA  ))
     6 6 0 peak 9302 weight  0.1000E+01 volume 2.01360 ppm1 2.267 ppm2 4.865
ASSI {  9312}
  (( segid "PROT" and resid 47  and name HD2  ))
  (( segid "PROT" and resid 46  and name HA  ))
     6 6 0 peak 9312 weight  0.1000E+01 volume 3.50470 ppm1 3.277 ppm2 4.871
ASSI {  9322}
  (( segid "PROT" and resid 47  and name HD1  ))
  (( segid "PROT" and resid 46  and name HA  ))
     6 6 0 peak 9322 weight  0.1000E+01 volume 2.84250 ppm1 3.730 ppm2 4.871
ASSI {  9332}
  (( segid "PROT" and resid 46  and name HG2#  ))
  (( segid "PROT" and resid 46  and name HB  ))
     6 6 0 peak 9332 weight  0.1000E+01 volume 3.97090 ppm1 0.749 ppm2 2.261
ASSI {  9342}
  (( segid "PROT" and resid 46  and name HG11  ))
  (( segid "PROT" and resid 46  and name HB  ))
     6 6 0 peak 9342 weight  0.1000E+01 volume 1.99360 ppm1 1.490 ppm2 2.303
ASSI {  9352}
  (( segid "PROT" and resid 46  and name HA  ))
  (( segid "PROT" and resid 46  and name HB  ))
     6 6 0 peak 9352 weight  0.1000E+01 volume 2.91250 ppm1 4.876 ppm2 2.263
ASSI {  9362}
  (( segid "PROT" and resid 41  and name HA  ))
  (( segid "PROT" and resid 46  and name HG11  ))
     6 6 0 peak 9362 weight  0.1000E+01 volume 1.67740 ppm1 3.635 ppm2 1.604
ASSI {  9372}
  (( segid "PROT" and resid 52  and name HG11  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 9372 weight  0.1000E+01 volume 34.11280 ppm1 1.560 ppm2 0.882
ASSI {  9382}
  (( segid "PROT" and resid 51  and name HB1  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 9382 weight  0.1000E+01 volume 10.69160 ppm1 2.939 ppm2 0.886
ASSI {  9392}
  (( segid "PROT" and resid 49  and name HA  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 9392 weight  0.1000E+01 volume 5.02970 ppm1 3.583 ppm2 0.881
ASSI {  9402}
  (( segid "PROT" and resid 48  and name HA  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 9402 weight  0.1000E+01 volume 2.14330 ppm1 4.600 ppm2 0.883
ASSI {  9412}
  (( segid "PROT" and resid 52  and name HG11  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 9412 weight  0.1000E+01 volume 29.14780 ppm1 1.560 ppm2 0.997
ASSI {  9422}
  (( segid "PROT" and resid 52  and name HG12  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 9422 weight  0.1000E+01 volume 36.94800 ppm1 1.410 ppm2 0.998
ASSI {  9432}
  (( segid "PROT" and resid 91  and name HB1  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 9432 weight  0.1000E+01 volume 6.22250 ppm1 2.969 ppm2 0.999
ASSI {  9442}
  (( segid "PROT" and resid 91  and name HB2  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 9442 weight  0.1000E+01 volume 4.31090 ppm1 2.908 ppm2 0.997
ASSI {  9452}
  (( segid "PROT" and resid 52  and name HB  ))
  (( segid "PROT" and resid 52  and name HA  ))
     6 6 0 peak 9452 weight  0.1000E+01 volume 9.14670 ppm1 1.830 ppm2 3.988
ASSI {  9462}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "PROT" and resid 52  and name HB  ))
     6 6 0 peak 9462 weight  0.1000E+01 volume 1.35700 ppm1 6.941 ppm2 1.823
ASSI {  9472}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "PROT" and resid 52  and name HG11  ))
     6 6 0 peak 9472 weight  0.1000E+01 volume 2.97500 ppm1 6.705 ppm2 1.566
ASSI {  9482}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "PROT" and resid 52  and name HG12  ))
     6 6 0 peak 9482 weight  0.1000E+01 volume 1.63770 ppm1 6.710 ppm2 1.399
ASSI {  9492}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "PROT" and resid 52  and name HG12  ))
     6 6 0 peak 9492 weight  0.1000E+01 volume 3.63200 ppm1 6.909 ppm2 1.391
ASSI {  9502}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "PROT" and resid 52  and name HG11  ))
     6 6 0 peak 9502 weight  0.1000E+01 volume 0.41020 ppm1 6.898 ppm2 1.562
ASSI {  9512}
  (( segid "PROT" and resid 52  and name HD1#  ))
  (( segid "PROT" and resid 52  and name HG12  ))
     6 6 0 peak 9512 weight  0.1000E+01 volume 16.46810 ppm1 0.882 ppm2 1.402
ASSI {  9522}
  (( segid "PROT" and resid 52  and name HG2#  ))
  (( segid "PROT" and resid 52  and name HG12  ))
     6 6 0 peak 9522 weight  0.1000E+01 volume 19.47360 ppm1 0.987 ppm2 1.399
ASSI {  9532}
  (( segid "PROT" and resid 52  and name HA  ))
  (( segid "PROT" and resid 52  and name HG11  ))
     6 6 0 peak 9532 weight  0.1000E+01 volume 7.48160 ppm1 3.993 ppm2 1.562
ASSI {  9542}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 9542 weight  0.1000E+01 volume 6.43120 ppm1 0.439 ppm2 0.884
ASSI {  9552}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 9552 weight  0.1000E+01 volume 1.69230 ppm1 0.580 ppm2 0.886
ASSI {  9572}
  (( segid "PROT" and resid 59  and name HA  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 9572 weight  0.1000E+01 volume 9.06840 ppm1 3.837 ppm2 0.342
ASSI {  9582}
  (( segid "PROT" and resid 57  and name HE#  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 9582 weight  0.1000E+01 volume 9.98300 ppm1 1.979 ppm2 0.346
ASSI {  9602}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 9602 weight  0.1000E+01 volume 4.02240 ppm1 6.615 ppm2 0.342
ASSI {  9612}
  (( segid "PROT" and resid 62  and name HG12  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 9612 weight  0.1000E+01 volume 14.90700 ppm1 0.887 ppm2 1.162
ASSI {  9622}
  (( segid "PROT" and resid 62  and name HB  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 9622 weight  0.1000E+01 volume 19.42690 ppm1 1.693 ppm2 1.157
ASSI {  9632}
  (( segid "PROT" and resid 62  and name HG11  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 9632 weight  0.1000E+01 volume 11.07200 ppm1 1.898 ppm2 1.161
ASSI {  9642}
  (( segid "PROT" and resid 59  and name HA  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 9642 weight  0.1000E+01 volume 3.21380 ppm1 3.842 ppm2 1.162
ASSI {  9652}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 9652 weight  0.1000E+01 volume 1.92160 ppm1 3.693 ppm2 1.171
ASSI {  9662}
  (( segid "PROT" and resid 77  and name HA  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 9662 weight  0.1000E+01 volume 2.82700 ppm1 3.384 ppm2 1.165
ASSI {  9672}
  (( segid "PROT" and resid 65  and name HD2  ))
  (( segid "PROT" and resid 62  and name HA  ))
     6 6 0 peak 9672 weight  0.1000E+01 volume 0.58420 ppm1 1.340 ppm2 3.915
ASSI {  9682}
  (( segid "PROT" and resid 62  and name HG11  ))
  (( segid "PROT" and resid 62  and name HA  ))
     6 6 0 peak 9682 weight  0.1000E+01 volume 3.96000 ppm1 1.903 ppm2 3.919
ASSI {  9692}
  (( segid "PROT" and resid 36  and name HA  ))
  (( segid "PROT" and resid 59  and name HG  ))
     6 6 0 peak 9692 weight  0.1000E+01 volume 2.29990 ppm1 3.937 ppm2 1.554
ASSI {  9702}
  (( segid "PROT" and resid 59  and name HA  ))
  (( segid "PROT" and resid 59  and name HG  ))
     6 6 0 peak 9702 weight  0.1000E+01 volume 4.25050 ppm1 3.844 ppm2 1.555
ASSI {  9712}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9712 weight  0.1000E+01 volume 3.04540 ppm1 6.616 ppm2 0.717
ASSI {  9722}
  (( segid "PROT" and resid 109  and name HZ  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9722 weight  0.1000E+01 volume 4.15310 ppm1 6.852 ppm2 0.720
ASSI {  9732}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9732 weight  0.1000E+01 volume 3.28030 ppm1 7.039 ppm2 0.721
ASSI {  9742}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9742 weight  0.1000E+01 volume 8.53600 ppm1 7.187 ppm2 0.720
ASSI {  9752}
  (( segid "PROT" and resid 110  and name HA  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9752 weight  0.1000E+01 volume 22.55020 ppm1 4.001 ppm2 0.717
ASSI {  9762}
  (( segid "PROT" and resid 113  and name HA  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9762 weight  0.1000E+01 volume 11.49350 ppm1 4.092 ppm2 0.717
ASSI {  9772}
  (( segid "PROT" and resid 114  and name HA  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9772 weight  0.1000E+01 volume 12.72910 ppm1 4.551 ppm2 0.718
ASSI {  9782}
  (( segid "PROT" and resid 110  and name HG1  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9782 weight  0.1000E+01 volume 11.36100 ppm1 2.832 ppm2 0.718
ASSI {  9792}
  (( segid "PROT" and resid 110  and name HG2  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9792 weight  0.1000E+01 volume 20.05540 ppm1 2.514 ppm2 0.720
ASSI {  9802}
  (( segid "PROT" and resid 110  and name HB1  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9802 weight  0.1000E+01 volume 5.82840 ppm1 2.371 ppm2 0.717
ASSI {  9812}
  (( segid "PROT" and resid 110  and name HB2  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9812 weight  0.1000E+01 volume 5.75470 ppm1 2.166 ppm2 0.716
ASSI {  9822}
  (( segid "PROT" and resid 113  and name HG11  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9822 weight  0.1000E+01 volume 20.65690 ppm1 1.220 ppm2 0.715
ASSI {  9832}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9832 weight  0.1000E+01 volume 17.44980 ppm1 1.116 ppm2 0.717
ASSI {  9842}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 9842 weight  0.1000E+01 volume 34.06450 ppm1 0.889 ppm2 0.718
ASSI {  9852}
  (( segid "PROT" and resid 21  and name HB  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 9852 weight  0.1000E+01 volume 13.79630 ppm1 4.188 ppm2 0.889
ASSI {  9862}
  (( segid "PROT" and resid 113  and name HG11  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 9862 weight  0.1000E+01 volume 68.06600 ppm1 1.213 ppm2 0.887
ASSI {  9872}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 9872 weight  0.1000E+01 volume 31.28540 ppm1 1.113 ppm2 0.884
ASSI {  9882}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 9882 weight  0.1000E+01 volume 21.28610 ppm1 1.040 ppm2 0.887
ASSI {  9892}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 9892 weight  0.1000E+01 volume 12.88370 ppm1 0.505 ppm2 0.890
ASSI {  9902}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 113  and name HB  ))
     6 6 0 peak 9902 weight  0.1000E+01 volume 7.45470 ppm1 0.889 ppm2 0.715
ASSI {  9912}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 113  and name HB  ))
     6 6 0 peak 9912 weight  0.1000E+01 volume 1.64900 ppm1 1.117 ppm2 0.715
ASSI {  9922}
  (( segid "PROT" and resid 21  and name HG2#  ))
  (( segid "PROT" and resid 113  and name HB  ))
     6 6 0 peak 9922 weight  0.1000E+01 volume 1.41750 ppm1 1.296 ppm2 0.713
ASSI {  9932}
  (( segid "PROT" and resid 113  and name HG11  ))
  (( segid "PROT" and resid 113  and name HB  ))
     6 6 0 peak 9932 weight  0.1000E+01 volume 8.18300 ppm1 1.214 ppm2 0.713
ASSI {  9942}
  (( segid "PROT" and resid 113  and name HA  ))
  (( segid "PROT" and resid 113  and name HG11  ))
     6 6 0 peak 9942 weight  0.1000E+01 volume 1.24680 ppm1 4.091 ppm2 1.223
ASSI {  9952}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 113  and name HG11  ))
     6 6 0 peak 9952 weight  0.1000E+01 volume 22.74670 ppm1 0.718 ppm2 1.213
ASSI {  9962}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 113  and name HG11  ))
     6 6 0 peak 9962 weight  0.1000E+01 volume 12.28120 ppm1 0.884 ppm2 1.215
ASSI {  9982}
  (( segid "PROT" and resid 41  and name HA  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 9982 weight  0.1000E+01 volume 10.04870 ppm1 3.616 ppm2 -0.369
ASSI {  9992}
  (( segid "PROT" and resid 35  and name HD1  ))
  (( segid "PROT" and resid 39  and name HG1#  ))
     6 6 0 peak 9992 weight  0.1000E+01 volume 6.26380 ppm1 7.383 ppm2 0.749
ASSI { 10012}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 39  and name HB  ))
     6 6 0 peak 10012 weight  0.1000E+01 volume 17.93330 ppm1 -0.365 ppm2 1.469
ASSI { 10022}
  (( segid "PROT" and resid 39  and name HA  ))
  (( segid "PROT" and resid 39  and name HB  ))
     6 6 0 peak 10022 weight  0.1000E+01 volume 2.39220 ppm1 3.208 ppm2 1.461
ASSI { 10032}
  (( segid "PROT" and resid 55  and name HA  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 10032 weight  0.1000E+01 volume 1.73400 ppm1 5.251 ppm2 0.603
ASSI { 10042}
  (( segid "PROT" and resid 56  and name HA  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 10042 weight  0.1000E+01 volume 10.26060 ppm1 4.131 ppm2 0.605
ASSI { 10052}
  (( segid "PROT" and resid 56  and name HD2  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 10052 weight  0.1000E+01 volume 8.32190 ppm1 3.453 ppm2 0.613
ASSI { 10062}
  (( segid "PROT" and resid 56  and name HD1  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 10062 weight  0.1000E+01 volume 2.71890 ppm1 3.691 ppm2 0.609
ASSI { 10072}
  (( segid "PROT" and resid 56  and name HB1  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 10072 weight  0.1000E+01 volume 6.53450 ppm1 2.443 ppm2 0.608
ASSI { 10082}
  (( segid "PROT" and resid 56  and name HB2  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 10082 weight  0.1000E+01 volume 12.44520 ppm1 2.142 ppm2 0.606
ASSI { 10092}
  (( segid "PROT" and resid 54  and name HB1  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 10092 weight  0.1000E+01 volume 0.39520 ppm1 1.833 ppm2 0.606
ASSI { 10102}
  (( segid "PROT" and resid 56  and name HG2  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 10102 weight  0.1000E+01 volume 6.04350 ppm1 1.983 ppm2 0.607
ASSI { 10112}
  (( segid "PROT" and resid 52  and name HB  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 10112 weight  0.1000E+01 volume 18.44380 ppm1 1.825 ppm2 0.449
ASSI { 10122}
  (( segid "PROT" and resid 91  and name HB1  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 10122 weight  0.1000E+01 volume 24.04020 ppm1 2.979 ppm2 0.440
ASSI { 10132}
  (( segid "PROT" and resid 116  and name HG2#  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 10132 weight  0.1000E+01 volume 12.05280 ppm1 0.773 ppm2 1.301
ASSI { 10142}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 10142 weight  0.1000E+01 volume 28.07030 ppm1 1.034 ppm2 1.308
ASSI { 10152}
  (( segid "PROT" and resid 79  and name HA  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 10152 weight  0.1000E+01 volume 3.70730 ppm1 4.555 ppm2 1.262
ASSI { 10162}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 10162 weight  0.1000E+01 volume 6.00320 ppm1 6.614 ppm2 1.277
ASSI { 10172}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 10172 weight  0.1000E+01 volume 3.57530 ppm1 -0.255 ppm2 1.107
ASSI { 10182}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 10182 weight  0.1000E+01 volume 3.17770 ppm1 0.508 ppm2 1.114
ASSI { 10192}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 10192 weight  0.1000E+01 volume 9.58320 ppm1 0.719 ppm2 1.114
ASSI { 10202}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 10202 weight  0.1000E+01 volume 25.13510 ppm1 0.882 ppm2 1.115
ASSI { 10212}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 10212 weight  0.1000E+01 volume 42.75390 ppm1 1.261 ppm2 1.112
ASSI { 10222}
  (( segid "PROT" and resid 77  and name HB2  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 10222 weight  0.1000E+01 volume 6.13330 ppm1 1.780 ppm2 1.114
ASSI { 10232}
  (( segid "PROT" and resid 77  and name HB1  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 10232 weight  0.1000E+01 volume 6.02030 ppm1 2.617 ppm2 1.114
ASSI { 10242}
  (( segid "PROT" and resid 75  and name HA  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 10242 weight  0.1000E+01 volume 10.95030 ppm1 4.202 ppm2 1.107
ASSI { 10252}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 10252 weight  0.1000E+01 volume 20.90240 ppm1 6.617 ppm2 1.110
ASSI { 10262}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 10262 weight  0.1000E+01 volume 5.80260 ppm1 7.480 ppm2 1.114
ASSI { 10272}
  (( segid "PROT" and resid 38  and name HB2  ))
  (( segid "PROT" and resid 38  and name HB1  ))
     6 6 0 peak 10272 weight  0.1000E+01 volume 23.38120 ppm1 1.646 ppm2 2.264
ASSI { 10282}
  (( segid "PROT" and resid 109  and name HB1  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 10282 weight  0.1000E+01 volume 1.88460 ppm1 3.338 ppm2 -1.498
ASSI { 10292}
  (( segid "PROT" and resid 78  and name HB  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 10292 weight  0.1000E+01 volume 1.75480 ppm1 2.205 ppm2 -1.498
ASSI { 10302}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 10302 weight  0.1000E+01 volume 9.56740 ppm1 1.098 ppm2 -1.495
ASSI { 10312}
  (( segid "PROT" and resid 84  and name HE#  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 10312 weight  0.1000E+01 volume 5.72650 ppm1 1.199 ppm2 -1.498
ASSI { 10322}
  (( segid "PROT" and resid 62  and name HG2#  ))
  (( segid "PROT" and resid 62  and name HG12  ))
     6 6 0 peak 10322 weight  0.1000E+01 volume 3.71570 ppm1 1.182 ppm2 0.875
ASSI { 10332}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 81  and name HB  ))
     6 6 0 peak 10332 weight  0.1000E+01 volume 3.66030 ppm1 1.259 ppm2 0.869
ASSI { 10342}
  (( segid "PROT" and resid 62  and name HG11  ))
  (( segid "PROT" and resid 62  and name HG12  ))
     6 6 0 peak 10342 weight  0.1000E+01 volume 4.14260 ppm1 1.895 ppm2 0.894
ASSI { 10352}
  (( segid "PROT" and resid 62  and name HA  ))
  (( segid "PROT" and resid 62  and name HG12  ))
     6 6 0 peak 10352 weight  0.1000E+01 volume 1.92470 ppm1 3.911 ppm2 0.897
ASSI { 10362}
  (( segid "PROT" and resid 62  and name HG2#  ))
  (( segid "PROT" and resid 62  and name HG11  ))
     6 6 0 peak 10362 weight  0.1000E+01 volume 4.86960 ppm1 1.152 ppm2 1.883
ASSI { 10372}
  (( segid "PROT" and resid 62  and name HA  ))
  (( segid "PROT" and resid 62  and name HG11  ))
     6 6 0 peak 10372 weight  0.1000E+01 volume 17.34920 ppm1 3.939 ppm2 1.877
ASSI { 10382}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 22  and name HD1#  ))
     6 6 0 peak 10382 weight  0.1000E+01 volume 15.34400 ppm1 6.611 ppm2 1.090
ASSI { 10392}
  (( segid "PROT" and resid 26  and name HD1  ))
  (( segid "PROT" and resid 22  and name HD1#  ))
     6 6 0 peak 10392 weight  0.1000E+01 volume 1.82440 ppm1 6.958 ppm2 1.090
ASSI { 10402}
  (( segid "PROT" and resid 105  and name HA  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 10402 weight  0.1000E+01 volume 10.15350 ppm1 3.636 ppm2 0.896
ASSI { 10412}
  (( segid "PROT" and resid 101  and name HB2  ))
  (( segid "PROT" and resid 98  and name HA  ))
     6 6 0 peak 10412 weight  0.1000E+01 volume 5.47290 ppm1 3.671 ppm2 3.292
ASSI { 10422}
  (( segid "PROT" and resid 101  and name HB1  ))
  (( segid "PROT" and resid 98  and name HA  ))
     6 6 0 peak 10422 weight  0.1000E+01 volume 2.11970 ppm1 3.936 ppm2 3.292
ASSI { 10432}
  (( segid "PROT" and resid 98  and name HG2#  ))
  (( segid "PROT" and resid 98  and name HB  ))
     6 6 0 peak 10432 weight  0.1000E+01 volume 4.35800 ppm1 0.610 ppm2 1.658
ASSI { 10442}
  (( segid "PROT" and resid 98  and name HG1#  ))
  (( segid "PROT" and resid 98  and name HB  ))
     6 6 0 peak 10442 weight  0.1000E+01 volume 1.41610 ppm1 0.806 ppm2 1.657
ASSI { 10452}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 10452 weight  0.1000E+01 volume 29.35300 ppm1 6.058 ppm2 0.897
ASSI { 10462}
  (( segid "PROT" and resid 24  and name HA  ))
  (( segid "PROT" and resid 108  and name HG2#  ))
     6 6 0 peak 10462 weight  0.1000E+01 volume 3.63680 ppm1 3.948 ppm2 0.871
ASSI { 10472}
  (( segid "PROT" and resid 109  and name HA  ))
  (( segid "PROT" and resid 108  and name HG2#  ))
     6 6 0 peak 10472 weight  0.1000E+01 volume 3.66170 ppm1 4.035 ppm2 0.867
ASSI { 10482}
  (( segid "PROT" and resid 25  and name HA  ))
  (( segid "PROT" and resid 108  and name HG2#  ))
     6 6 0 peak 10482 weight  0.1000E+01 volume 5.81380 ppm1 4.110 ppm2 0.864
ASSI { 10492}
  (( segid "PROT" and resid 112  and name HB1  ))
  (( segid "PROT" and resid 108  and name HG2#  ))
     6 6 0 peak 10492 weight  0.1000E+01 volume 13.21090 ppm1 2.024 ppm2 0.867
ASSI { 10502}
  (( segid "PROT" and resid 24  and name HB#  ))
  (( segid "PROT" and resid 108  and name HG2#  ))
     6 6 0 peak 10502 weight  0.1000E+01 volume 22.02210 ppm1 1.409 ppm2 0.872
ASSI { 10512}
  (( segid "PROT" and resid 28  and name HG1  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 10512 weight  0.1000E+01 volume 23.12900 ppm1 2.822 ppm2 0.958
ASSI { 10522}
  (( segid "PROT" and resid 28  and name HG1  ))
  (( segid "PROT" and resid 108  and name HG2#  ))
     6 6 0 peak 10522 weight  0.1000E+01 volume 3.69220 ppm1 2.820 ppm2 0.867
ASSI { 10532}
  (( segid "PROT" and resid 11  and name HD2  ))
  (( segid "PROT" and resid 10  and name HB1  ))
     6 6 0 peak 10532 weight  0.1000E+01 volume 4.69010 ppm1 3.910 ppm2 2.157
ASSI { 10542}
  (( segid "PROT" and resid 11  and name HD1  ))
  (( segid "PROT" and resid 10  and name HB1  ))
     6 6 0 peak 10542 weight  0.1000E+01 volume 1.90230 ppm1 4.004 ppm2 2.161
ASSI { 10552}
  (( segid "PROT" and resid 57  and name HA  ))
  (( segid "PROT" and resid 57  and name HB1  ))
     6 6 0 peak 10552 weight  0.1000E+01 volume 1.06050 ppm1 5.068 ppm2 2.174
ASSI { 10562}
  (( segid "PROT" and resid 104  and name HA  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 10562 weight  0.1000E+01 volume 1.20810 ppm1 4.240 ppm2 0.963
ASSI { 10572}
  (( segid "PROT" and resid 25  and name HA  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 10572 weight  0.1000E+01 volume 2.11850 ppm1 4.116 ppm2 0.959
ASSI { 10582}
  (( segid "PROT" and resid 104  and name HG2  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 10582 weight  0.1000E+01 volume 9.08990 ppm1 1.237 ppm2 0.961
ASSI { 10592}
  (( segid "PROT" and resid 104  and name HG1  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 10592 weight  0.1000E+01 volume 4.76010 ppm1 1.480 ppm2 0.959
ASSI { 10602}
  (( segid "PROT" and resid 104  and name HD2  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 10602 weight  0.1000E+01 volume 4.99420 ppm1 1.630 ppm2 0.956
ASSI { 10612}
  (( segid "PROT" and resid 104  and name HD1  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 10612 weight  0.1000E+01 volume 8.07050 ppm1 1.794 ppm2 0.964
ASSI { 10622}
  (( segid "PROT" and resid 83  and name HB2  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 10622 weight  0.1000E+01 volume 13.04250 ppm1 1.642 ppm2 1.105
ASSI { 10632}
  (( segid "PROT" and resid 17  and name HB#  ))
  (( segid "PROT" and resid 116  and name HG1#  ))
     6 6 0 peak 10632 weight  0.1000E+01 volume 44.62240 ppm1 1.300 ppm2 1.033
ASSI { 10642}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 100  and name HB1  ))
     6 6 0 peak 10642 weight  0.1000E+01 volume 1.84470 ppm1 7.105 ppm2 2.024
ASSI { 10652}
  (( segid "PROT" and resid 17  and name HB#  ))
  (( segid "PROT" and resid 116  and name HA  ))
     6 6 0 peak 10652 weight  0.1000E+01 volume 3.78260 ppm1 1.305 ppm2 3.683
ASSI { 10662}
  (( segid "PROT" and resid 119  and name HB2  ))
  (( segid "PROT" and resid 116  and name HA  ))
     6 6 0 peak 10662 weight  0.1000E+01 volume 3.80610 ppm1 3.982 ppm2 3.678
ASSI { 10672}
  (( segid "PROT" and resid 119  and name HB1  ))
  (( segid "PROT" and resid 116  and name HA  ))
     6 6 0 peak 10672 weight  0.1000E+01 volume 2.66730 ppm1 4.030 ppm2 3.676
ASSI { 10682}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 21  and name HA  ))
     6 6 0 peak 10682 weight  0.1000E+01 volume 1.52990 ppm1 0.884 ppm2 4.142
ASSI { 10692}
  (( segid "PROT" and resid 41  and name HB2  ))
  (( segid "PROT" and resid 47  and name HA  ))
     6 6 0 peak 10692 weight  0.1000E+01 volume 8.62850 ppm1 1.735 ppm2 4.068
ASSI { 10702}
  (( segid "PROT" and resid 47  and name HB2  ))
  (( segid "PROT" and resid 47  and name HA  ))
     6 6 0 peak 10702 weight  0.1000E+01 volume 11.92640 ppm1 2.022 ppm2 4.059
ASSI { 10712}
  (( segid "PROT" and resid 47  and name HB1  ))
  (( segid "PROT" and resid 47  and name HA  ))
     6 6 0 peak 10712 weight  0.1000E+01 volume 11.89860 ppm1 2.205 ppm2 4.059
ASSI { 10722}
  (( segid "PROT" and resid 47  and name HG1  ))
  (( segid "PROT" and resid 47  and name HA  ))
     6 6 0 peak 10722 weight  0.1000E+01 volume 9.26090 ppm1 1.927 ppm2 4.064
ASSI { 10732}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 21  and name HB  ))
     6 6 0 peak 10732 weight  0.1000E+01 volume 3.74110 ppm1 0.887 ppm2 4.191
ASSI { 10742}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 21  and name HB  ))
     6 6 0 peak 10742 weight  0.1000E+01 volume 2.07810 ppm1 0.713 ppm2 4.195
ASSI { 10752}
  (( segid "PROT" and resid 112  and name HB2  ))
  (( segid "PROT" and resid 21  and name HB  ))
     6 6 0 peak 10752 weight  0.1000E+01 volume 2.17590 ppm1 1.759 ppm2 4.192
ASSI { 10762}
  (( segid "PROT" and resid 112  and name HB1  ))
  (( segid "PROT" and resid 21  and name HB  ))
     6 6 0 peak 10762 weight  0.1000E+01 volume 2.92370 ppm1 2.013 ppm2 4.196
ASSI { 10772}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 21  and name HB  ))
     6 6 0 peak 10772 weight  0.1000E+01 volume 2.31400 ppm1 7.190 ppm2 4.198
ASSI { 10782}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 21  and name HB  ))
     6 6 0 peak 10782 weight  0.1000E+01 volume 2.17020 ppm1 7.046 ppm2 4.194
ASSI { 10792}
  (( segid "PROT" and resid 112  and name HB1  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 10792 weight  0.1000E+01 volume 16.28000 ppm1 2.020 ppm2 1.298
ASSI { 10802}
  (( segid "PROT" and resid 64  and name HA  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 10802 weight  0.1000E+01 volume 2.21560 ppm1 4.167 ppm2 1.221
ASSI { 10812}
  (( segid "PROT" and resid 67  and name HA  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 10812 weight  0.1000E+01 volume 2.96410 ppm1 4.360 ppm2 1.223
ASSI { 10822}
  (( segid "PROT" and resid 64  and name HG1  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 10822 weight  0.1000E+01 volume 11.83420 ppm1 1.673 ppm2 1.225
ASSI { 10832}
  (( segid "PROT" and resid 64  and name HG2  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 10832 weight  0.1000E+01 volume 4.24930 ppm1 1.505 ppm2 1.222
ASSI { 10842}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 17  and name HA  ))
     6 6 0 peak 10842 weight  0.1000E+01 volume 2.33350 ppm1 0.659 ppm2 4.178
ASSI { 10852}
  (( segid "PROT" and resid 27  and name HD2  ))
  (( segid "PROT" and resid 24  and name HA  ))
     6 6 0 peak 10852 weight  0.1000E+01 volume 1.41540 ppm1 3.123 ppm2 3.950
ASSI { 10862}
  (( segid "PROT" and resid 27  and name HG1  ))
  (( segid "PROT" and resid 24  and name HA  ))
     6 6 0 peak 10862 weight  0.1000E+01 volume 9.04300 ppm1 1.694 ppm2 3.947
ASSI { 10872}
  (( segid "PROT" and resid 27  and name HB2  ))
  (( segid "PROT" and resid 24  and name HA  ))
     6 6 0 peak 10872 weight  0.1000E+01 volume 4.69910 ppm1 1.816 ppm2 3.950
ASSI { 10882}
  (( segid "PROT" and resid 27  and name HB1  ))
  (( segid "PROT" and resid 24  and name HA  ))
     6 6 0 peak 10882 weight  0.1000E+01 volume 5.82920 ppm1 1.894 ppm2 3.950
ASSI { 10892}
  (( segid "PROT" and resid 23  and name HB1  ))
  (( segid "PROT" and resid 24  and name HA  ))
     6 6 0 peak 10892 weight  0.1000E+01 volume 2.81520 ppm1 2.023 ppm2 3.950
ASSI { 10902}
  (( segid "PROT" and resid 108  and name HG2#  ))
  (( segid "PROT" and resid 24  and name HA  ))
     6 6 0 peak 10902 weight  0.1000E+01 volume 2.66890 ppm1 0.871 ppm2 3.950
ASSI { 10912}
  (( segid "PROT" and resid 112  and name HB2  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 10912 weight  0.1000E+01 volume 9.31400 ppm1 1.757 ppm2 1.409
ASSI { 10922}
  (( segid "PROT" and resid 35  and name HB1  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 10922 weight  0.1000E+01 volume 2.39940 ppm1 3.785 ppm2 1.751
ASSI { 10932}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 10932 weight  0.1000E+01 volume 89.45000 ppm1 0.349 ppm2 0.262
ASSI { 10942}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 10942 weight  0.1000E+01 volume 40.48810 ppm1 0.512 ppm2 0.231
ASSI { 10952}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 10952 weight  0.1000E+01 volume 5.60310 ppm1 7.184 ppm2 0.668
ASSI { 10962}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 10962 weight  0.1000E+01 volume 2.56560 ppm1 7.394 ppm2 0.358
ASSI { 10972}
  (( segid "PROT" and resid 9  and name HD1  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 10972 weight  0.1000E+01 volume 3.21120 ppm1 7.333 ppm2 0.358
ASSI { 10982}
  (( segid "PROT" and resid 73  and name HA  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 10982 weight  0.1000E+01 volume 13.58280 ppm1 4.624 ppm2 0.352
ASSI { 10992}
  (( segid "PROT" and resid 72  and name HA  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 10992 weight  0.1000E+01 volume 2.77640 ppm1 4.293 ppm2 0.350
ASSI { 11002}
  (( segid "PROT" and resid 11  and name HA  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 11002 weight  0.1000E+01 volume 3.56230 ppm1 4.231 ppm2 0.352
ASSI { 11012}
  (( segid "PROT" and resid 14  and name HA  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 11012 weight  0.1000E+01 volume 16.18150 ppm1 3.785 ppm2 0.356
ASSI { 11022}
  (( segid "PROT" and resid 9  and name HB1  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 11022 weight  0.1000E+01 volume 16.14290 ppm1 2.864 ppm2 0.349
ASSI { 11032}
  (( segid "PROT" and resid 74  and name HD2  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 11032 weight  0.1000E+01 volume 10.73210 ppm1 2.762 ppm2 0.351
ASSI { 11042}
  (( segid "PROT" and resid 13  and name HB2  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 11042 weight  0.1000E+01 volume 3.85110 ppm1 2.197 ppm2 0.346
ASSI { 11052}
  (( segid "PROT" and resid 13  and name HB1  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 11052 weight  0.1000E+01 volume 5.50780 ppm1 2.434 ppm2 0.353
ASSI { 11062}
  (( segid "PROT" and resid 74  and name HB1  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 11062 weight  0.1000E+01 volume 10.92710 ppm1 1.786 ppm2 0.353
ASSI { 11072}
  (( segid "PROT" and resid 14  and name HB1  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 11072 weight  0.1000E+01 volume 16.43780 ppm1 1.648 ppm2 0.349
ASSI { 11092}
  (( segid "PROT" and resid 14  and name HG  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 11092 weight  0.1000E+01 volume 13.45510 ppm1 1.396 ppm2 0.349
ASSI { 11102}
  (( segid "PROT" and resid 14  and name HB2  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 11102 weight  0.1000E+01 volume 33.47940 ppm1 1.311 ppm2 0.351
ASSI { 11112}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 11112 weight  0.1000E+01 volume 34.41310 ppm1 0.265 ppm2 0.346
ASSI { 11122}
  (( segid "PROT" and resid 18  and name HG  ))
  (( segid "PROT" and resid 14  and name HA  ))
     6 6 0 peak 11122 weight  0.1000E+01 volume 2.67380 ppm1 1.555 ppm2 3.795
ASSI { 11132}
  (( segid "PROT" and resid 35  and name HD1  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11132 weight  0.1000E+01 volume 9.02020 ppm1 7.422 ppm2 0.388
ASSI { 11142}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11142 weight  0.1000E+01 volume 3.95720 ppm1 0.234 ppm2 0.390
ASSI { 11152}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11152 weight  0.1000E+01 volume 14.08140 ppm1 0.896 ppm2 0.391
ASSI { 11162}
  (( segid "PROT" and resid 84  and name HE#  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11162 weight  0.1000E+01 volume 3.71620 ppm1 1.243 ppm2 0.393
ASSI { 11172}
  (( segid "PROT" and resid 105  and name HB1  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11172 weight  0.1000E+01 volume 27.40590 ppm1 1.510 ppm2 0.392
ASSI { 11182}
  (( segid "PROT" and resid 105  and name HG  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11182 weight  0.1000E+01 volume 29.90590 ppm1 1.645 ppm2 0.391
ASSI { 11192}
  (( segid "PROT" and resid 28  and name HB1  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11192 weight  0.1000E+01 volume 3.17970 ppm1 2.137 ppm2 0.391
ASSI { 11202}
  (( segid "PROT" and resid 28  and name HB2  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11202 weight  0.1000E+01 volume 4.58660 ppm1 2.055 ppm2 0.391
ASSI { 11212}
  (( segid "PROT" and resid 25  and name HB1  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11212 weight  0.1000E+01 volume 1.85630 ppm1 2.298 ppm2 0.391
ASSI { 11222}
  (( segid "PROT" and resid 102  and name HA  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11222 weight  0.1000E+01 volume 8.05520 ppm1 3.238 ppm2 0.394
ASSI { 11232}
  (( segid "PROT" and resid 105  and name HA  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11232 weight  0.1000E+01 volume 12.24890 ppm1 3.637 ppm2 0.390
ASSI { 11242}
  (( segid "PROT" and resid 35  and name HB1  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11242 weight  0.1000E+01 volume 2.07950 ppm1 3.837 ppm2 0.390
ASSI { 11252}
  (( segid "PROT" and resid 25  and name HA  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11252 weight  0.1000E+01 volume 2.43250 ppm1 4.116 ppm2 0.393
ASSI { 11262}
  (( segid "PROT" and resid 32  and name HA  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 11262 weight  0.1000E+01 volume 19.26370 ppm1 4.365 ppm2 0.391
ASSI { 11272}
  (( segid "PROT" and resid 9  and name HB1  ))
  (( segid "PROT" and resid 14  and name HG  ))
     6 6 0 peak 11272 weight  0.1000E+01 volume 7.55920 ppm1 2.865 ppm2 1.393
ASSI { 11282}
  (( segid "PROT" and resid 14  and name HB1  ))
  (( segid "PROT" and resid 14  and name HG  ))
     6 6 0 peak 11282 weight  0.1000E+01 volume 15.57200 ppm1 1.657 ppm2 1.402
ASSI { 11292}
  (( segid "PROT" and resid 116  and name HG2#  ))
  (( segid "PROT" and resid 18  and name HA  ))
     6 6 0 peak 11292 weight  0.1000E+01 volume 8.33390 ppm1 0.763 ppm2 4.189
ASSI { 11302}
  (( segid "PROT" and resid 18  and name HB1  ))
  (( segid "PROT" and resid 18  and name HA  ))
     6 6 0 peak 11302 weight  0.1000E+01 volume 8.63060 ppm1 1.311 ppm2 4.185
ASSI { 11312}
  (( segid "PROT" and resid 18  and name HG  ))
  (( segid "PROT" and resid 18  and name HA  ))
     6 6 0 peak 11312 weight  0.1000E+01 volume 7.82080 ppm1 1.559 ppm2 4.191
ASSI { 11322}
  (( segid "PROT" and resid 18  and name HA  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 11322 weight  0.1000E+01 volume 11.04440 ppm1 4.188 ppm2 0.233
ASSI { 11332}
  (( segid "PROT" and resid 18  and name HG  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 11332 weight  0.1000E+01 volume 32.38300 ppm1 1.555 ppm2 0.233
ASSI { 11342}
  (( segid "PROT" and resid 77  and name HA  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 11342 weight  0.1000E+01 volume 3.05720 ppm1 3.383 ppm2 0.230
ASSI { 11352}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 11352 weight  0.1000E+01 volume 8.58300 ppm1 6.616 ppm2 0.235
ASSI { 11362}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 11362 weight  0.1000E+01 volume 7.89060 ppm1 6.725 ppm2 0.232
ASSI { 11372}
  (( segid "PROT" and resid 109  and name HZ  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 11372 weight  0.1000E+01 volume 2.26060 ppm1 6.833 ppm2 0.232
ASSI { 11382}
  (( segid "PROT" and resid 74  and name HA  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 11382 weight  0.1000E+01 volume 4.99330 ppm1 3.781 ppm2 0.504
ASSI { 11392}
  (( segid "PROT" and resid 77  and name HB2  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 11392 weight  0.1000E+01 volume 14.19600 ppm1 1.783 ppm2 0.507
ASSI { 11402}
  (( segid "PROT" and resid 18  and name HG  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 11402 weight  0.1000E+01 volume 14.65980 ppm1 1.554 ppm2 0.505
ASSI { 11412}
  (( segid "PROT" and resid 18  and name HB1  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 11412 weight  0.1000E+01 volume 15.34180 ppm1 1.366 ppm2 0.509
ASSI { 11422}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 11422 weight  0.1000E+01 volume 7.87560 ppm1 1.104 ppm2 0.507
ASSI { 11432}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 11432 weight  0.1000E+01 volume 22.01330 ppm1 0.886 ppm2 0.507
ASSI { 11442}
  (( segid "PROT" and resid 116  and name HG2#  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 11442 weight  0.1000E+01 volume 32.40310 ppm1 0.774 ppm2 0.502
ASSI { 11452}
  (( segid "PROT" and resid 18  and name HA  ))
  (( segid "PROT" and resid 18  and name HB1  ))
     6 6 0 peak 11452 weight  0.1000E+01 volume 3.71450 ppm1 4.191 ppm2 1.375
ASSI { 11462}
  (( segid "PROT" and resid 18  and name HA  ))
  (( segid "PROT" and resid 18  and name HB2  ))
     6 6 0 peak 11462 weight  0.1000E+01 volume 4.68760 ppm1 4.188 ppm2 0.319
ASSI { 11472}
  (( segid "PROT" and resid 18  and name HB1  ))
  (( segid "PROT" and resid 18  and name HB2  ))
     6 6 0 peak 11472 weight  0.1000E+01 volume 8.62620 ppm1 1.374 ppm2 0.321
ASSI { 11482}
  (( segid "PROT" and resid 18  and name HG  ))
  (( segid "PROT" and resid 18  and name HB2  ))
     6 6 0 peak 11482 weight  0.1000E+01 volume 3.47400 ppm1 1.554 ppm2 0.321
ASSI { 11492}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 18  and name HB2  ))
     6 6 0 peak 11492 weight  0.1000E+01 volume 2.05300 ppm1 0.823 ppm2 0.316
ASSI { 11502}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 18  and name HB2  ))
     6 6 0 peak 11502 weight  0.1000E+01 volume 2.28280 ppm1 0.739 ppm2 0.327
ASSI { 11512}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 18  and name HB2  ))
     6 6 0 peak 11512 weight  0.1000E+01 volume 5.17460 ppm1 0.503 ppm2 0.325
ASSI { 11522}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 18  and name HB2  ))
     6 6 0 peak 11522 weight  0.1000E+01 volume 3.30770 ppm1 0.232 ppm2 0.327
ASSI { 11532}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 18  and name HB1  ))
     6 6 0 peak 11532 weight  0.1000E+01 volume 2.73480 ppm1 0.509 ppm2 1.359
ASSI { 11542}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 18  and name HB1  ))
     6 6 0 peak 11542 weight  0.1000E+01 volume 3.12490 ppm1 0.738 ppm2 1.344
ASSI { 11552}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 18  and name HB1  ))
     6 6 0 peak 11552 weight  0.1000E+01 volume 0.78740 ppm1 0.833 ppm2 1.352
ASSI { 11562}
  (( segid "PROT" and resid 18  and name HG  ))
  (( segid "PROT" and resid 18  and name HB1  ))
     6 6 0 peak 11562 weight  0.1000E+01 volume 2.97090 ppm1 1.560 ppm2 1.354
ASSI { 11572}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 18  and name HG  ))
     6 6 0 peak 11572 weight  0.1000E+01 volume 34.48490 ppm1 0.236 ppm2 1.552
ASSI { 11582}
  (( segid "PROT" and resid 18  and name HB2  ))
  (( segid "PROT" and resid 18  and name HG  ))
     6 6 0 peak 11582 weight  0.1000E+01 volume 7.11100 ppm1 0.350 ppm2 1.551
ASSI { 11592}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 18  and name HG  ))
     6 6 0 peak 11592 weight  0.1000E+01 volume 7.95320 ppm1 0.506 ppm2 1.551
ASSI { 11602}
  (( segid "PROT" and resid 17  and name HB#  ))
  (( segid "PROT" and resid 18  and name HG  ))
     6 6 0 peak 11602 weight  0.1000E+01 volume 10.77000 ppm1 1.365 ppm2 1.551
ASSI { 11612}
  (( segid "PROT" and resid 18  and name HA  ))
  (( segid "PROT" and resid 18  and name HG  ))
     6 6 0 peak 11612 weight  0.1000E+01 volume 2.47760 ppm1 4.187 ppm2 1.544
ASSI { 11622}
  (( segid "PROT" and resid 18  and name HB1  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 11622 weight  0.1000E+01 volume 47.89710 ppm1 1.394 ppm2 0.238
ASSI { 11632}
  (( segid "PROT" and resid 18  and name HB2  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 11632 weight  0.1000E+01 volume 31.03050 ppm1 0.345 ppm2 0.507
ASSI { 11642}
  (( segid "PROT" and resid 25  and name HB2  ))
  (( segid "PROT" and resid 25  and name HA  ))
     6 6 0 peak 11642 weight  0.1000E+01 volume 6.26170 ppm1 1.090 ppm2 4.112
ASSI { 11652}
  (( segid "PROT" and resid 109  and name HB1  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 11652 weight  0.1000E+01 volume 13.93440 ppm1 3.337 ppm2 0.893
ASSI { 11662}
  (( segid "PROT" and resid 109  and name HB2  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 11662 weight  0.1000E+01 volume 10.73750 ppm1 3.061 ppm2 0.894
ASSI { 11672}
  (( segid "PROT" and resid 108  and name HB  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 11672 weight  0.1000E+01 volume 10.13860 ppm1 2.151 ppm2 0.904
ASSI { 11692}
  (( segid "PROT" and resid 105  and name HB2  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 11692 weight  0.1000E+01 volume 22.92060 ppm1 1.098 ppm2 0.897
ASSI { 11702}
  (( segid "PROT" and resid 105  and name HG  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 11702 weight  0.1000E+01 volume 10.42760 ppm1 1.650 ppm2 0.890
ASSI { 11712}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 11712 weight  0.1000E+01 volume 24.63370 ppm1 0.566 ppm2 0.896
ASSI { 11722}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 11722 weight  0.1000E+01 volume 8.07420 ppm1 0.395 ppm2 0.889
ASSI { 11732}
  (( segid "PROT" and resid 22  and name HA  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 11732 weight  0.1000E+01 volume 2.01870 ppm1 4.316 ppm2 0.909
ASSI { 11742}
  (( segid "PROT" and resid 25  and name HA  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 11742 weight  0.1000E+01 volume 3.99750 ppm1 4.105 ppm2 0.667
ASSI { 11752}
  (( segid "PROT" and resid 25  and name HB1  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 11752 weight  0.1000E+01 volume 24.81190 ppm1 2.300 ppm2 0.668
ASSI { 11762}
  (( segid "PROT" and resid 25  and name HG  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 11762 weight  0.1000E+01 volume 20.59750 ppm1 2.379 ppm2 0.668
ASSI { 11772}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 11772 weight  0.1000E+01 volume 5.41530 ppm1 -0.255 ppm2 0.659
ASSI { 11782}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 11782 weight  0.1000E+01 volume 35.35590 ppm1 0.896 ppm2 0.676
ASSI { 11792}
  (( segid "PROT" and resid 84  and name HE#  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 11792 weight  0.1000E+01 volume 11.76800 ppm1 1.198 ppm2 0.672
ASSI { 11802}
  (( segid "PROT" and resid 25  and name HB2  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 11802 weight  0.1000E+01 volume 25.14610 ppm1 1.096 ppm2 0.668
ASSI { 11812}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 25  and name HB1  ))
     6 6 0 peak 11812 weight  0.1000E+01 volume 3.83830 ppm1 0.673 ppm2 2.301
ASSI { 11822}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 25  and name HB1  ))
     6 6 0 peak 11822 weight  0.1000E+01 volume 4.70050 ppm1 0.899 ppm2 2.291
ASSI { 11832}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 25  and name HB2  ))
     6 6 0 peak 11832 weight  0.1000E+01 volume 4.32150 ppm1 0.670 ppm2 1.090
ASSI { 11842}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 25  and name HB2  ))
     6 6 0 peak 11842 weight  0.1000E+01 volume 5.25390 ppm1 0.900 ppm2 1.093
ASSI { 11852}
  (( segid "PROT" and resid 25  and name HB1  ))
  (( segid "PROT" and resid 25  and name HB2  ))
     6 6 0 peak 11852 weight  0.1000E+01 volume 5.16370 ppm1 2.294 ppm2 1.087
ASSI { 11872}
  (( segid "PROT" and resid 25  and name HA  ))
  (( segid "PROT" and resid 25  and name HB2  ))
     6 6 0 peak 11872 weight  0.1000E+01 volume 3.06580 ppm1 4.103 ppm2 1.087
ASSI { 11882}
  (( segid "PROT" and resid 25  and name HA  ))
  (( segid "PROT" and resid 25  and name HB1  ))
     6 6 0 peak 11882 weight  0.1000E+01 volume 0.70470 ppm1 4.092 ppm2 2.295
ASSI { 11892}
  (( segid "PROT" and resid 25  and name HB2  ))
  (( segid "PROT" and resid 25  and name HB1  ))
     6 6 0 peak 11892 weight  0.1000E+01 volume 15.86720 ppm1 1.094 ppm2 2.297
ASSI { 11902}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 25  and name HG  ))
     6 6 0 peak 11902 weight  0.1000E+01 volume 3.85910 ppm1 0.571 ppm2 2.374
ASSI { 11912}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 25  and name HG  ))
     6 6 0 peak 11912 weight  0.1000E+01 volume 17.65510 ppm1 0.674 ppm2 2.376
ASSI { 11922}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 25  and name HG  ))
     6 6 0 peak 11922 weight  0.1000E+01 volume 19.85850 ppm1 0.897 ppm2 2.376
ASSI { 11932}
  (( segid "PROT" and resid 25  and name HB2  ))
  (( segid "PROT" and resid 25  and name HG  ))
     6 6 0 peak 11932 weight  0.1000E+01 volume 6.42810 ppm1 1.096 ppm2 2.374
ASSI { 11942}
  (( segid "PROT" and resid 25  and name HA  ))
  (( segid "PROT" and resid 25  and name HG  ))
     6 6 0 peak 11942 weight  0.1000E+01 volume 2.34340 ppm1 4.099 ppm2 2.378
ASSI { 11952}
  (( segid "PROT" and resid 22  and name HA  ))
  (( segid "PROT" and resid 25  and name HG  ))
     6 6 0 peak 11952 weight  0.1000E+01 volume 1.79110 ppm1 4.318 ppm2 2.376
ASSI { 11962}
  (( segid "PROT" and resid 33  and name HA  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 11962 weight  0.1000E+01 volume 28.85920 ppm1 3.912 ppm2 0.827
ASSI { 11972}
  (( segid "PROT" and resid 36  and name HD1  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 11972 weight  0.1000E+01 volume 15.39880 ppm1 3.204 ppm2 0.824
ASSI { 11982}
  (( segid "PROT" and resid 36  and name HD2  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 11982 weight  0.1000E+01 volume 17.99970 ppm1 3.050 ppm2 0.828
ASSI { 11992}
  (( segid "PROT" and resid 33  and name HB2  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 11992 weight  0.1000E+01 volume 28.27970 ppm1 1.598 ppm2 0.821
ASSI { 12002}
  (( segid "PROT" and resid 33  and name HG  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 12002 weight  0.1000E+01 volume 48.11690 ppm1 1.685 ppm2 0.824
ASSI { 12012}
  (( segid "PROT" and resid 33  and name HB1  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 12012 weight  0.1000E+01 volume 17.59350 ppm1 2.100 ppm2 0.822
ASSI { 12022}
  (( segid "PROT" and resid 33  and name HD1#  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 12022 weight  0.1000E+01 volume 17.43470 ppm1 0.967 ppm2 0.826
ASSI { 12032}
  (( segid "PROT" and resid 33  and name HA  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 12032 weight  0.1000E+01 volume 13.16650 ppm1 3.911 ppm2 0.966
ASSI { 12042}
  (( segid "PROT" and resid 34  and name HD1  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 12042 weight  0.1000E+01 volume 7.53580 ppm1 3.840 ppm2 0.961
ASSI { 12052}
  (( segid "PROT" and resid 33  and name HB1  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 12052 weight  0.1000E+01 volume 33.31500 ppm1 2.104 ppm2 0.965
ASSI { 12062}
  (( segid "PROT" and resid 33  and name HG  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 12062 weight  0.1000E+01 volume 34.68080 ppm1 1.684 ppm2 0.966
ASSI { 12072}
  (( segid "PROT" and resid 33  and name HB2  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 12072 weight  0.1000E+01 volume 53.73690 ppm1 1.598 ppm2 0.961
ASSI { 12082}
  (( segid "PROT" and resid 33  and name HD2#  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 12082 weight  0.1000E+01 volume 31.92520 ppm1 0.826 ppm2 0.966
ASSI { 12092}
  (( segid "PROT" and resid 34  and name HD1  ))
  (( segid "PROT" and resid 33  and name HB1  ))
     6 6 0 peak 12092 weight  0.1000E+01 volume 5.47160 ppm1 3.831 ppm2 2.088
ASSI { 12102}
  (( segid "PROT" and resid 33  and name HA  ))
  (( segid "PROT" and resid 33  and name HB1  ))
     6 6 0 peak 12102 weight  0.1000E+01 volume 2.98460 ppm1 3.912 ppm2 2.087
ASSI { 12112}
  (( segid "PROT" and resid 33  and name HD1#  ))
  (( segid "PROT" and resid 33  and name HB1  ))
     6 6 0 peak 12112 weight  0.1000E+01 volume 4.99920 ppm1 0.968 ppm2 2.093
ASSI { 12122}
  (( segid "PROT" and resid 33  and name HD2#  ))
  (( segid "PROT" and resid 33  and name HB1  ))
     6 6 0 peak 12122 weight  0.1000E+01 volume 4.81370 ppm1 0.828 ppm2 2.091
ASSI { 12132}
  (( segid "PROT" and resid 33  and name HD2#  ))
  (( segid "PROT" and resid 33  and name HB2  ))
     6 6 0 peak 12132 weight  0.1000E+01 volume 12.03680 ppm1 0.824 ppm2 1.594
ASSI { 12142}
  (( segid "PROT" and resid 33  and name HD1#  ))
  (( segid "PROT" and resid 33  and name HB2  ))
     6 6 0 peak 12142 weight  0.1000E+01 volume 9.04400 ppm1 0.967 ppm2 1.592
ASSI { 12152}
  (( segid "PROT" and resid 33  and name HB2  ))
  (( segid "PROT" and resid 33  and name HB1  ))
     6 6 0 peak 12152 weight  0.1000E+01 volume 8.17240 ppm1 1.594 ppm2 2.093
ASSI { 12162}
  (( segid "PROT" and resid 33  and name HB1  ))
  (( segid "PROT" and resid 33  and name HB2  ))
     6 6 0 peak 12162 weight  0.1000E+01 volume 24.81240 ppm1 2.098 ppm2 1.596
ASSI { 12172}
  (( segid "PROT" and resid 33  and name HG  ))
  (( segid "PROT" and resid 33  and name HB1  ))
     6 6 0 peak 12172 weight  0.1000E+01 volume 11.83640 ppm1 1.678 ppm2 2.091
ASSI { 12182}
  (( segid "PROT" and resid 33  and name HA  ))
  (( segid "PROT" and resid 33  and name HG  ))
     6 6 0 peak 12182 weight  0.1000E+01 volume 11.55570 ppm1 3.914 ppm2 1.684
ASSI { 12192}
  (( segid "PROT" and resid 30  and name HA  ))
  (( segid "PROT" and resid 33  and name HG  ))
     6 6 0 peak 12192 weight  0.1000E+01 volume 6.72180 ppm1 5.037 ppm2 1.686
ASSI { 12202}
  (( segid "PROT" and resid 33  and name HD1#  ))
  (( segid "PROT" and resid 33  and name HG  ))
     6 6 0 peak 12202 weight  0.1000E+01 volume 17.49130 ppm1 0.964 ppm2 1.687
ASSI { 12212}
  (( segid "PROT" and resid 33  and name HB2  ))
  (( segid "PROT" and resid 33  and name HG  ))
     6 6 0 peak 12212 weight  0.1000E+01 volume 55.26750 ppm1 1.550 ppm2 1.692
ASSI { 12222}
  (( segid "PROT" and resid 33  and name HD2#  ))
  (( segid "PROT" and resid 33  and name HG  ))
     6 6 0 peak 12222 weight  0.1000E+01 volume 12.65270 ppm1 0.829 ppm2 1.681
ASSI { 12232}
  (( segid "PROT" and resid 30  and name HA  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 12232 weight  0.1000E+01 volume 7.70890 ppm1 5.035 ppm2 0.827
ASSI { 12242}
  (( segid "PROT" and resid 29  and name HA  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 12242 weight  0.1000E+01 volume 7.52540 ppm1 4.723 ppm2 0.827
ASSI { 12252}
  (( segid "PROT" and resid 30  and name HA  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 12252 weight  0.1000E+01 volume 27.80920 ppm1 5.042 ppm2 0.964
ASSI { 12262}
  (( segid "PROT" and resid 29  and name HA  ))
  (( segid "PROT" and resid 33  and name HG  ))
     6 6 0 peak 12262 weight  0.1000E+01 volume 2.14240 ppm1 4.733 ppm2 1.667
ASSI { 12272}
  (( segid "PROT" and resid 33  and name HB1  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 12272 weight  0.1000E+01 volume 11.32350 ppm1 2.108 ppm2 3.911
ASSI { 12282}
  (( segid "PROT" and resid 33  and name HG  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 12282 weight  0.1000E+01 volume 4.42970 ppm1 1.689 ppm2 3.913
ASSI { 12292}
  (( segid "PROT" and resid 33  and name HB2  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 12292 weight  0.1000E+01 volume 8.30920 ppm1 1.598 ppm2 3.915
ASSI { 12302}
  (( segid "PROT" and resid 36  and name HG2  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 12302 weight  0.1000E+01 volume 2.50260 ppm1 1.331 ppm2 3.913
ASSI { 12312}
  (( segid "PROT" and resid 33  and name HD1#  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 12312 weight  0.1000E+01 volume 5.29670 ppm1 0.966 ppm2 3.906
ASSI { 12322}
  (( segid "PROT" and resid 33  and name HD2#  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 12322 weight  0.1000E+01 volume 14.74830 ppm1 0.825 ppm2 3.915
ASSI { 12332}
  (( segid "PROT" and resid 36  and name HB1  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 12332 weight  0.1000E+01 volume 1.67030 ppm1 2.169 ppm2 3.912
ASSI { 12342}
  (( segid "PROT" and resid 36  and name HD2  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 12342 weight  0.1000E+01 volume 6.13210 ppm1 3.052 ppm2 3.916
ASSI { 12352}
  (( segid "PROT" and resid 36  and name HD1  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 12352 weight  0.1000E+01 volume 3.52530 ppm1 3.204 ppm2 3.906
ASSI { 12362}
  (( segid "PROT" and resid 43  and name HD2#  ))
  (( segid "PROT" and resid 43  and name HA  ))
     6 6 0 peak 12362 weight  0.1000E+01 volume 45.58830 ppm1 0.862 ppm2 4.014
ASSI { 12372}
  (( segid "PROT" and resid 43  and name HG  ))
  (( segid "PROT" and resid 43  and name HA  ))
     6 6 0 peak 12372 weight  0.1000E+01 volume 31.38520 ppm1 1.527 ppm2 4.005
ASSI { 12382}
  (( segid "PROT" and resid 43  and name HB1  ))
  (( segid "PROT" and resid 43  and name HA  ))
     6 6 0 peak 12382 weight  0.1000E+01 volume 3.78170 ppm1 1.576 ppm2 4.005
ASSI { 12392}
  (( segid "PROT" and resid 43  and name HA  ))
  (( segid "PROT" and resid 43  and name HD1#  ))
     6 6 0 peak 12392 weight  0.1000E+01 volume 50.23500 ppm1 4.013 ppm2 0.862
ASSI { 12402}
  (( segid "PROT" and resid 43  and name HG  ))
  (( segid "PROT" and resid 43  and name HD2#  ))
     6 6 0 peak 12402 weight  0.1000E+01 volume 26.92420 ppm1 1.497 ppm2 0.861
ASSI { 12412}
  (( segid "PROT" and resid 43  and name HD2#  ))
  (( segid "PROT" and resid 43  and name HB1  ))
     6 6 0 peak 12412 weight  0.1000E+01 volume 90.91870 ppm1 0.850 ppm2 1.556
ASSI { 12422}
  (( segid "PROT" and resid 43  and name HA  ))
  (( segid "PROT" and resid 43  and name HB1  ))
     6 6 0 peak 12422 weight  0.1000E+01 volume 49.47570 ppm1 4.011 ppm2 1.556
ASSI { 12432}
  (( segid "PROT" and resid 40  and name HB1  ))
  (( segid "PROT" and resid 43  and name HB1  ))
     6 6 0 peak 12432 weight  0.1000E+01 volume 27.70100 ppm1 2.928 ppm2 1.560
ASSI { 12442}
  (( segid "PROT" and resid 40  and name HB2  ))
  (( segid "PROT" and resid 43  and name HB1  ))
     6 6 0 peak 12442 weight  0.1000E+01 volume 32.17910 ppm1 2.385 ppm2 1.558
ASSI { 12452}
  (( segid "PROT" and resid 43  and name HA  ))
  (( segid "PROT" and resid 43  and name HG  ))
     6 6 0 peak 12452 weight  0.1000E+01 volume 21.72600 ppm1 4.011 ppm2 1.495
ASSI { 12462}
  (( segid "PROT" and resid 90  and name HA  ))
  (( segid "PROT" and resid 90  and name HG  ))
     6 6 0 peak 12462 weight  0.1000E+01 volume 9.17600 ppm1 4.453 ppm2 1.414
ASSI { 12472}
  (( segid "PROT" and resid 40  and name HB1  ))
  (( segid "PROT" and resid 43  and name HD1#  ))
     6 6 0 peak 12472 weight  0.1000E+01 volume 20.06250 ppm1 2.932 ppm2 0.851
ASSI { 12482}
  (( segid "PROT" and resid 40  and name HB2  ))
  (( segid "PROT" and resid 43  and name HD1#  ))
     6 6 0 peak 12482 weight  0.1000E+01 volume 23.08790 ppm1 2.382 ppm2 0.860
ASSI { 12492}
  (( segid "PROT" and resid 43  and name HG  ))
  (( segid "PROT" and resid 43  and name HD1#  ))
     6 6 0 peak 12492 weight  0.1000E+01 volume 104.07340 ppm1 1.498 ppm2 0.853
ASSI { 12502}
  (( segid "PROT" and resid 43  and name HB1  ))
  (( segid "PROT" and resid 43  and name HD1#  ))
     6 6 0 peak 12502 weight  0.1000E+01 volume 32.65640 ppm1 1.576 ppm2 0.853
ASSI { 12512}
  (( segid "PROT" and resid 43  and name HA  ))
  (( segid "PROT" and resid 43  and name HD2#  ))
     6 6 0 peak 12512 weight  0.1000E+01 volume 18.03280 ppm1 4.021 ppm2 0.878
ASSI { 12522}
  (( segid "PROT" and resid 44  and name HD2#  ))
  (( segid "PROT" and resid 44  and name HA  ))
     6 6 0 peak 12522 weight  0.1000E+01 volume 17.86280 ppm1 0.828 ppm2 4.188
ASSI { 12532}
  (( segid "PROT" and resid 44  and name HB2  ))
  (( segid "PROT" and resid 44  and name HA  ))
     6 6 0 peak 12532 weight  0.1000E+01 volume 7.86890 ppm1 1.360 ppm2 4.192
ASSI { 12542}
  (( segid "PROT" and resid 44  and name HB1  ))
  (( segid "PROT" and resid 44  and name HA  ))
     6 6 0 peak 12542 weight  0.1000E+01 volume 7.16820 ppm1 1.439 ppm2 4.192
ASSI { 12552}
  (( segid "PROT" and resid 44  and name HA  ))
  (( segid "PROT" and resid 44  and name HD2#  ))
     6 6 0 peak 12552 weight  0.1000E+01 volume 32.66270 ppm1 4.194 ppm2 0.826
ASSI { 12562}
  (( segid "PROT" and resid 44  and name HG  ))
  (( segid "PROT" and resid 44  and name HD2#  ))
     6 6 0 peak 12562 weight  0.1000E+01 volume 59.73500 ppm1 1.693 ppm2 0.821
ASSI { 12572}
  (( segid "PROT" and resid 44  and name HB1  ))
  (( segid "PROT" and resid 44  and name HD2#  ))
     6 6 0 peak 12572 weight  0.1000E+01 volume 9.84360 ppm1 1.459 ppm2 0.823
ASSI { 12582}
  (( segid "PROT" and resid 44  and name HA  ))
  (( segid "PROT" and resid 44  and name HD1#  ))
     6 6 0 peak 12582 weight  0.1000E+01 volume 6.99710 ppm1 4.193 ppm2 0.744
ASSI { 12592}
  (( segid "PROT" and resid 39  and name HA  ))
  (( segid "PROT" and resid 44  and name HD1#  ))
     6 6 0 peak 12592 weight  0.1000E+01 volume 19.99740 ppm1 3.208 ppm2 0.746
ASSI { 12602}
  (( segid "PROT" and resid 44  and name HB1  ))
  (( segid "PROT" and resid 44  and name HD1#  ))
     6 6 0 peak 12602 weight  0.1000E+01 volume 14.62430 ppm1 1.445 ppm2 0.744
ASSI { 12612}
  (( segid "PROT" and resid 44  and name HG  ))
  (( segid "PROT" and resid 44  and name HD1#  ))
     6 6 0 peak 12612 weight  0.1000E+01 volume 24.32120 ppm1 1.695 ppm2 0.743
ASSI { 12622}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 44  and name HD1#  ))
     6 6 0 peak 12622 weight  0.1000E+01 volume 33.89110 ppm1 -0.371 ppm2 0.747
ASSI { 12632}
  (( segid "PROT" and resid 44  and name HA  ))
  (( segid "PROT" and resid 44  and name HB1  ))
     6 6 0 peak 12632 weight  0.1000E+01 volume 8.77650 ppm1 4.193 ppm2 1.419
ASSI { 12642}
  (( segid "PROT" and resid 41  and name HA  ))
  (( segid "PROT" and resid 44  and name HB2  ))
     6 6 0 peak 12642 weight  0.1000E+01 volume 1.33320 ppm1 3.619 ppm2 1.393
ASSI { 12652}
  (( segid "PROT" and resid 44  and name HG  ))
  (( segid "PROT" and resid 44  and name HB1  ))
     6 6 0 peak 12652 weight  0.1000E+01 volume 7.95910 ppm1 1.696 ppm2 1.391
ASSI { 12662}
  (( segid "PROT" and resid 44  and name HD1#  ))
  (( segid "PROT" and resid 44  and name HB2  ))
     6 6 0 peak 12662 weight  0.1000E+01 volume 12.87660 ppm1 0.749 ppm2 1.400
ASSI { 12672}
  (( segid "PROT" and resid 44  and name HD2#  ))
  (( segid "PROT" and resid 44  and name HB1  ))
     6 6 0 peak 12672 weight  0.1000E+01 volume 7.82000 ppm1 0.825 ppm2 1.405
ASSI { 12682}
  (( segid "PROT" and resid 44  and name HA  ))
  (( segid "PROT" and resid 44  and name HG  ))
     6 6 0 peak 12682 weight  0.1000E+01 volume 17.80100 ppm1 4.182 ppm2 1.684
ASSI { 12692}
  (( segid "PROT" and resid 59  and name HB1  ))
  (( segid "PROT" and resid 36  and name HA  ))
     6 6 0 peak 12692 weight  0.1000E+01 volume 5.32400 ppm1 1.728 ppm2 3.945
ASSI { 12702}
  (( segid "PROT" and resid 36  and name HB2  ))
  (( segid "PROT" and resid 36  and name HA  ))
     6 6 0 peak 12702 weight  0.1000E+01 volume 3.39620 ppm1 1.901 ppm2 3.948
ASSI { 12712}
  (( segid "PROT" and resid 59  and name HB2  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 12712 weight  0.1000E+01 volume 61.29840 ppm1 1.361 ppm2 0.230
ASSI { 12722}
  (( segid "PROT" and resid 59  and name HG  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 12722 weight  0.1000E+01 volume 28.19830 ppm1 1.553 ppm2 0.228
ASSI { 12732}
  (( segid "PROT" and resid 59  and name HB1  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 12732 weight  0.1000E+01 volume 12.55310 ppm1 1.769 ppm2 0.232
ASSI { 12742}
  (( segid "PROT" and resid 36  and name HG1  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 12742 weight  0.1000E+01 volume 6.85440 ppm1 2.174 ppm2 0.230
ASSI { 12752}
  (( segid "PROT" and resid 59  and name HA  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 12752 weight  0.1000E+01 volume 6.95000 ppm1 3.781 ppm2 0.234
ASSI { 12762}
  (( segid "PROT" and resid 35  and name HB1  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 12762 weight  0.1000E+01 volume 6.14480 ppm1 3.837 ppm2 0.232
ASSI { 12772}
  (( segid "PROT" and resid 32  and name HB2  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 12772 weight  0.1000E+01 volume 32.69610 ppm1 3.705 ppm2 0.230
ASSI { 12782}
  (( segid "PROT" and resid 35  and name HD1  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 12782 weight  0.1000E+01 volume 2.87240 ppm1 7.373 ppm2 0.230
ASSI { 12792}
  (( segid "PROT" and resid 26  and name HD1  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 12792 weight  0.1000E+01 volume 1.52220 ppm1 6.925 ppm2 0.582
ASSI { 12802}
  (( segid "PROT" and resid 36  and name HA  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 12802 weight  0.1000E+01 volume 7.49220 ppm1 3.935 ppm2 0.578
ASSI { 12812}
  (( segid "PROT" and resid 59  and name HA  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 12812 weight  0.1000E+01 volume 14.92300 ppm1 3.836 ppm2 0.580
ASSI { 12822}
  (( segid "PROT" and resid 59  and name HB2  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 12822 weight  0.1000E+01 volume 8.24830 ppm1 1.357 ppm2 0.580
ASSI { 12832}
  (( segid "PROT" and resid 59  and name HG  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 12832 weight  0.1000E+01 volume 13.32490 ppm1 1.553 ppm2 0.584
ASSI { 12842}
  (( segid "PROT" and resid 59  and name HB1  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 12842 weight  0.1000E+01 volume 19.51880 ppm1 1.708 ppm2 0.582
ASSI { 12852}
  (( segid "PROT" and resid 22  and name HG  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 12852 weight  0.1000E+01 volume 4.43150 ppm1 1.875 ppm2 0.591
ASSI { 12862}
  (( segid "PROT" and resid 62  and name HG2#  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 12862 weight  0.1000E+01 volume 24.21850 ppm1 1.196 ppm2 0.580
ASSI { 12872}
  (( segid "PROT" and resid 22  and name HD1#  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 12872 weight  0.1000E+01 volume 39.29180 ppm1 1.096 ppm2 0.578
ASSI { 12882}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 12882 weight  0.1000E+01 volume 22.37790 ppm1 0.673 ppm2 0.577
ASSI { 12892}
  (( segid "PROT" and resid 36  and name HA  ))
  (( segid "PROT" and resid 59  and name HB2  ))
     6 6 0 peak 12892 weight  0.1000E+01 volume 1.64110 ppm1 3.947 ppm2 1.354
ASSI { 12902}
  (( segid "PROT" and resid 59  and name HA  ))
  (( segid "PROT" and resid 59  and name HB2  ))
     6 6 0 peak 12902 weight  0.1000E+01 volume 2.42040 ppm1 3.843 ppm2 1.354
ASSI { 12912}
  (( segid "PROT" and resid 59  and name HB1  ))
  (( segid "PROT" and resid 59  and name HB2  ))
     6 6 0 peak 12912 weight  0.1000E+01 volume 3.13920 ppm1 1.721 ppm2 1.359
ASSI { 12922}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 59  and name HB2  ))
     6 6 0 peak 12922 weight  0.1000E+01 volume 3.22510 ppm1 0.573 ppm2 1.360
ASSI { 12932}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 59  and name HB2  ))
     6 6 0 peak 12932 weight  0.1000E+01 volume 1.85990 ppm1 6.604 ppm2 1.361
ASSI { 12942}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 59  and name HG  ))
     6 6 0 peak 12942 weight  0.1000E+01 volume 29.52920 ppm1 0.237 ppm2 1.552
ASSI { 12952}
  (( segid "PROT" and resid 59  and name HG  ))
  (( segid "PROT" and resid 36  and name HA  ))
     6 6 0 peak 12952 weight  0.1000E+01 volume 1.22280 ppm1 1.560 ppm2 3.949
ASSI { 12962}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 12962 weight  0.1000E+01 volume 6.25130 ppm1 0.668 ppm2 0.228
ASSI { 12972}
  (( segid "PROT" and resid 35  and name HB2  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 12972 weight  0.1000E+01 volume 17.53280 ppm1 2.636 ppm2 0.234
ASSI { 12982}
  (( segid "PROT" and resid 66  and name HB2  ))
  (( segid "PROT" and resid 66  and name HA  ))
     6 6 0 peak 12982 weight  0.1000E+01 volume 10.52490 ppm1 1.750 ppm2 4.354
ASSI { 12992}
  (( segid "PROT" and resid 66  and name HA  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 12992 weight  0.1000E+01 volume 16.98060 ppm1 4.356 ppm2 0.829
ASSI { 13002}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 13002 weight  0.1000E+01 volume 29.19930 ppm1 3.669 ppm2 0.827
ASSI { 13012}
  (( segid "PROT" and resid 18  and name HA  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 13012 weight  0.1000E+01 volume 3.11130 ppm1 4.198 ppm2 0.831
ASSI { 13022}
  (( segid "PROT" and resid 66  and name HB1  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 13022 weight  0.1000E+01 volume 17.61510 ppm1 1.930 ppm2 0.829
ASSI { 13032}
  (( segid "PROT" and resid 19  and name HE#  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 13032 weight  0.1000E+01 volume 8.22800 ppm1 2.042 ppm2 0.832
ASSI { 13042}
  (( segid "PROT" and resid 15  and name HG1  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 13042 weight  0.1000E+01 volume 14.14770 ppm1 1.552 ppm2 0.829
ASSI { 13052}
  (( segid "PROT" and resid 18  and name HB1  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 13052 weight  0.1000E+01 volume 9.25940 ppm1 1.377 ppm2 0.831
ASSI { 13072}
  (( segid "PROT" and resid 19  and name HB1  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13072 weight  0.1000E+01 volume 7.95760 ppm1 2.218 ppm2 0.734
ASSI { 13082}
  (( segid "PROT" and resid 19  and name HE#  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13082 weight  0.1000E+01 volume 8.87280 ppm1 2.041 ppm2 0.734
ASSI { 13092}
  (( segid "PROT" and resid 66  and name HB1  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13092 weight  0.1000E+01 volume 36.63490 ppm1 1.934 ppm2 0.736
ASSI { 13102}
  (( segid "PROT" and resid 62  and name HG11  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13102 weight  0.1000E+01 volume 22.69490 ppm1 1.863 ppm2 0.732
ASSI { 13112}
  (( segid "PROT" and resid 66  and name HG  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13112 weight  0.1000E+01 volume 51.45860 ppm1 1.749 ppm2 0.736
ASSI { 13122}
  (( segid "PROT" and resid 15  and name HG1  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13122 weight  0.1000E+01 volume 18.07210 ppm1 1.552 ppm2 0.736
ASSI { 13132}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13132 weight  0.1000E+01 volume 12.17520 ppm1 0.235 ppm2 0.740
ASSI { 13142}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13142 weight  0.1000E+01 volume 21.38880 ppm1 3.668 ppm2 0.736
ASSI { 13152}
  (( segid "PROT" and resid 18  and name HA  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13152 weight  0.1000E+01 volume 8.20130 ppm1 4.191 ppm2 0.736
ASSI { 13162}
  (( segid "PROT" and resid 66  and name HA  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13162 weight  0.1000E+01 volume 9.14160 ppm1 4.355 ppm2 0.734
ASSI { 13172}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13172 weight  0.1000E+01 volume 18.09550 ppm1 6.614 ppm2 0.738
ASSI { 13182}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13182 weight  0.1000E+01 volume 10.55090 ppm1 6.723 ppm2 0.735
ASSI { 13192}
  (( segid "PROT" and resid 71  and name HD1  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 13192 weight  0.1000E+01 volume 6.90750 ppm1 6.840 ppm2 0.733
ASSI { 13202}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 13202 weight  0.1000E+01 volume 12.18610 ppm1 6.739 ppm2 0.837
ASSI { 13212}
  (( segid "PROT" and resid 71  and name HD1  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 13212 weight  0.1000E+01 volume 4.43960 ppm1 6.835 ppm2 0.828
ASSI { 13222}
  (( segid "PROT" and resid 65  and name HZ2  ))
  (( segid "PROT" and resid 66  and name HB1  ))
     6 6 0 peak 13222 weight  0.1000E+01 volume 3.34750 ppm1 6.778 ppm2 1.938
ASSI { 13232}
  (( segid "PROT" and resid 71  and name HD1  ))
  (( segid "PROT" and resid 66  and name HB1  ))
     6 6 0 peak 13232 weight  0.1000E+01 volume 0.75830 ppm1 6.855 ppm2 1.936
ASSI { 13242}
  (( segid "PROT" and resid 71  and name HD1  ))
  (( segid "PROT" and resid 66  and name HB2  ))
     6 6 0 peak 13242 weight  0.1000E+01 volume 2.51370 ppm1 6.855 ppm2 1.758
ASSI { 13252}
  (( segid "PROT" and resid 66  and name HA  ))
  (( segid "PROT" and resid 66  and name HB1  ))
     6 6 0 peak 13252 weight  0.1000E+01 volume 9.26530 ppm1 4.354 ppm2 1.938
ASSI { 13262}
  (( segid "PROT" and resid 66  and name HA  ))
  (( segid "PROT" and resid 66  and name HB2  ))
     6 6 0 peak 13262 weight  0.1000E+01 volume 20.38860 ppm1 4.352 ppm2 1.760
ASSI { 13272}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 66  and name HB2  ))
     6 6 0 peak 13272 weight  0.1000E+01 volume 6.25660 ppm1 3.689 ppm2 1.749
ASSI { 13282}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 66  and name HB1  ))
     6 6 0 peak 13282 weight  0.1000E+01 volume 2.97100 ppm1 3.694 ppm2 1.933
ASSI { 13292}
  (( segid "PROT" and resid 66  and name HB1  ))
  (( segid "PROT" and resid 66  and name HB2  ))
     6 6 0 peak 13292 weight  0.1000E+01 volume 22.98090 ppm1 1.937 ppm2 1.754
ASSI { 13302}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 66  and name HB2  ))
     6 6 0 peak 13302 weight  0.1000E+01 volume 12.10490 ppm1 0.738 ppm2 1.754
ASSI { 13312}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 66  and name HB2  ))
     6 6 0 peak 13312 weight  0.1000E+01 volume 7.92730 ppm1 0.838 ppm2 1.753
ASSI { 13322}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 66  and name HG  ))
     6 6 0 peak 13322 weight  0.1000E+01 volume 18.20710 ppm1 0.833 ppm2 1.729
ASSI { 13332}
  (( segid "PROT" and resid 66  and name HA  ))
  (( segid "PROT" and resid 66  and name HG  ))
     6 6 0 peak 13332 weight  0.1000E+01 volume 4.49140 ppm1 4.352 ppm2 1.733
ASSI { 13342}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 66  and name HG  ))
     6 6 0 peak 13342 weight  0.1000E+01 volume 3.18940 ppm1 3.667 ppm2 1.734
ASSI { 13352}
  (( segid "PROT" and resid 83  and name HD1#  ))
  (( segid "PROT" and resid 83  and name HA  ))
     6 6 0 peak 13352 weight  0.1000E+01 volume 4.68180 ppm1 0.888 ppm2 4.238
ASSI { 13362}
  (( segid "PROT" and resid 104  and name HG2  ))
  (( segid "PROT" and resid 104  and name HA  ))
     6 6 0 peak 13362 weight  0.1000E+01 volume 4.53360 ppm1 1.236 ppm2 4.246
ASSI { 13372}
  (( segid "PROT" and resid 104  and name HG1  ))
  (( segid "PROT" and resid 104  and name HA  ))
     6 6 0 peak 13372 weight  0.1000E+01 volume 4.40390 ppm1 1.479 ppm2 4.235
ASSI { 13382}
  (( segid "PROT" and resid 83  and name HB2  ))
  (( segid "PROT" and resid 83  and name HA  ))
     6 6 0 peak 13382 weight  0.1000E+01 volume 9.36610 ppm1 1.632 ppm2 4.233
ASSI { 13392}
  (( segid "PROT" and resid 104  and name HD1  ))
  (( segid "PROT" and resid 104  and name HA  ))
     6 6 0 peak 13392 weight  0.1000E+01 volume 5.87930 ppm1 1.799 ppm2 4.241
ASSI { 13402}
  (( segid "PROT" and resid 104  and name HB1  ))
  (( segid "PROT" and resid 104  and name HA  ))
     6 6 0 peak 13402 weight  0.1000E+01 volume 10.28060 ppm1 2.007 ppm2 4.241
ASSI { 13412}
  (( segid "PROT" and resid 83  and name HB1  ))
  (( segid "PROT" and resid 83  and name HA  ))
     6 6 0 peak 13412 weight  0.1000E+01 volume 8.69080 ppm1 2.202 ppm2 4.226
ASSI { 13422}
  (( segid "PROT" and resid 86  and name HB2  ))
  (( segid "PROT" and resid 83  and name HA  ))
     6 6 0 peak 13422 weight  0.1000E+01 volume 3.84250 ppm1 2.890 ppm2 4.235
ASSI { 13432}
  (( segid "PROT" and resid 7  and name HA  ))
  (( segid "PROT" and resid 7  and name HD1  ))
     6 6 0 peak 13432 weight  0.1000E+01 volume 15.80890 ppm1 4.238 ppm2 1.503
ASSI { 13442}
  (( segid "PROT" and resid 83  and name HA  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 13442 weight  0.1000E+01 volume 8.81140 ppm1 4.232 ppm2 0.884
ASSI { 13452}
  (( segid "PROT" and resid 7  and name HA  ))
  (( segid "PROT" and resid 7  and name HG1  ))
     6 6 0 peak 13452 weight  0.1000E+01 volume 21.04980 ppm1 4.238 ppm2 1.095
ASSI { 13462}
  (( segid "PROT" and resid 83  and name HB1  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 13462 weight  0.1000E+01 volume 18.57380 ppm1 2.172 ppm2 0.882
ASSI { 13472}
  (( segid "PROT" and resid 57  and name HE#  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 13472 weight  0.1000E+01 volume 37.29360 ppm1 1.989 ppm2 0.884
ASSI { 13482}
  (( segid "PROT" and resid 83  and name HB2  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 13482 weight  0.1000E+01 volume 15.89530 ppm1 1.644 ppm2 0.884
ASSI { 13492}
  (( segid "PROT" and resid 83  and name HG  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 13492 weight  0.1000E+01 volume 56.47270 ppm1 1.411 ppm2 0.890
ASSI { 13502}
  (( segid "PROT" and resid 57  and name HB2  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 13502 weight  0.1000E+01 volume 11.71130 ppm1 1.248 ppm2 0.889
ASSI { 13512}
  (( segid "PROT" and resid 83  and name HD2#  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 13512 weight  0.1000E+01 volume 21.60150 ppm1 1.107 ppm2 0.888
ASSI { 13522}
  (( segid "PROT" and resid 83  and name HA  ))
  (( segid "PROT" and resid 83  and name HB1  ))
     6 6 0 peak 13522 weight  0.1000E+01 volume 2.42090 ppm1 4.238 ppm2 2.174
ASSI { 13532}
  (( segid "PROT" and resid 83  and name HA  ))
  (( segid "PROT" and resid 83  and name HB2  ))
     6 6 0 peak 13532 weight  0.1000E+01 volume 2.94750 ppm1 4.232 ppm2 1.648
ASSI { 13542}
  (( segid "PROT" and resid 80  and name HA  ))
  (( segid "PROT" and resid 83  and name HB2  ))
     6 6 0 peak 13542 weight  0.1000E+01 volume 3.02110 ppm1 4.560 ppm2 1.648
ASSI { 13552}
  (( segid "PROT" and resid 80  and name HA  ))
  (( segid "PROT" and resid 83  and name HB1  ))
     6 6 0 peak 13552 weight  0.1000E+01 volume 2.98680 ppm1 4.553 ppm2 2.166
ASSI { 13562}
  (( segid "PROT" and resid 83  and name HB2  ))
  (( segid "PROT" and resid 83  and name HB1  ))
     6 6 0 peak 13562 weight  0.1000E+01 volume 5.76560 ppm1 1.638 ppm2 2.164
ASSI { 13572}
  (( segid "PROT" and resid 83  and name HB1  ))
  (( segid "PROT" and resid 83  and name HB2  ))
     6 6 0 peak 13572 weight  0.1000E+01 volume 9.44150 ppm1 2.171 ppm2 1.641
ASSI { 13582}
  (( segid "PROT" and resid 83  and name HD1#  ))
  (( segid "PROT" and resid 83  and name HB1  ))
     6 6 0 peak 13582 weight  0.1000E+01 volume 6.30210 ppm1 0.885 ppm2 2.169
ASSI { 13592}
  (( segid "PROT" and resid 83  and name HD2#  ))
  (( segid "PROT" and resid 83  and name HB1  ))
     6 6 0 peak 13592 weight  0.1000E+01 volume 13.45990 ppm1 1.098 ppm2 2.196
ASSI { 13602}
  (( segid "PROT" and resid 83  and name HD1#  ))
  (( segid "PROT" and resid 83  and name HB2  ))
     6 6 0 peak 13602 weight  0.1000E+01 volume 5.88030 ppm1 0.875 ppm2 1.648
ASSI { 13612}
  (( segid "PROT" and resid 83  and name HD2#  ))
  (( segid "PROT" and resid 83  and name HB2  ))
     6 6 0 peak 13612 weight  0.1000E+01 volume 7.60670 ppm1 1.106 ppm2 1.656
ASSI { 13622}
  (( segid "PROT" and resid 80  and name HA  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 13622 weight  0.1000E+01 volume 12.77430 ppm1 4.549 ppm2 0.882
ASSI { 13632}
  (( segid "PROT" and resid 80  and name HA  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 13632 weight  0.1000E+01 volume 6.21320 ppm1 4.549 ppm2 1.108
ASSI { 13642}
  (( segid "PROT" and resid 83  and name HB1  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 13642 weight  0.1000E+01 volume 13.57640 ppm1 2.173 ppm2 1.106
ASSI { 13652}
  (( segid "PROT" and resid 22  and name HB1  ))
  (( segid "PROT" and resid 22  and name HB2  ))
     6 6 0 peak 13652 weight  0.1000E+01 volume 9.63170 ppm1 2.213 ppm2 2.067
ASSI { 13662}
  (( segid "PROT" and resid 83  and name HG  ))
  (( segid "PROT" and resid 83  and name HB1  ))
     6 6 0 peak 13662 weight  0.1000E+01 volume 2.98580 ppm1 1.413 ppm2 2.172
ASSI { 13672}
  (( segid "PROT" and resid 90  and name HD1#  ))
  (( segid "PROT" and resid 90  and name HA  ))
     6 6 0 peak 13672 weight  0.1000E+01 volume 19.59060 ppm1 0.985 ppm2 4.444
ASSI { 13682}
  (( segid "PROT" and resid 90  and name HG  ))
  (( segid "PROT" and resid 90  and name HA  ))
     6 6 0 peak 13682 weight  0.1000E+01 volume 3.20900 ppm1 1.416 ppm2 4.451
ASSI { 13692}
  (( segid "PROT" and resid 90  and name HB2  ))
  (( segid "PROT" and resid 90  and name HA  ))
     6 6 0 peak 13692 weight  0.1000E+01 volume 7.40100 ppm1 1.829 ppm2 4.456
ASSI { 13702}
  (( segid "PROT" and resid 90  and name HB1  ))
  (( segid "PROT" and resid 90  and name HA  ))
     6 6 0 peak 13702 weight  0.1000E+01 volume 3.81080 ppm1 2.141 ppm2 4.454
ASSI { 13712}
  (( segid "PROT" and resid 90  and name HD2#  ))
  (( segid "PROT" and resid 90  and name HB1  ))
     6 6 0 peak 13712 weight  0.1000E+01 volume 31.19410 ppm1 0.989 ppm2 2.125
ASSI { 13722}
  (( segid "PROT" and resid 90  and name HG  ))
  (( segid "PROT" and resid 90  and name HB1  ))
     6 6 0 peak 13722 weight  0.1000E+01 volume 5.08570 ppm1 1.416 ppm2 2.125
ASSI { 13732}
  (( segid "PROT" and resid 90  and name HG  ))
  (( segid "PROT" and resid 90  and name HB2  ))
     6 6 0 peak 13732 weight  0.1000E+01 volume 8.30170 ppm1 1.421 ppm2 1.808
ASSI { 13742}
  (( segid "PROT" and resid 90  and name HB2  ))
  (( segid "PROT" and resid 90  and name HB1  ))
     6 6 0 peak 13742 weight  0.1000E+01 volume 7.51960 ppm1 1.828 ppm2 2.125
ASSI { 13752}
  (( segid "PROT" and resid 90  and name HB1  ))
  (( segid "PROT" and resid 90  and name HB2  ))
     6 6 0 peak 13752 weight  0.1000E+01 volume 12.63620 ppm1 2.140 ppm2 1.833
ASSI { 13762}
  (( segid "PROT" and resid 90  and name HA  ))
  (( segid "PROT" and resid 90  and name HB1  ))
     6 6 0 peak 13762 weight  0.1000E+01 volume 13.91590 ppm1 4.455 ppm2 2.136
ASSI { 13772}
  (( segid "PROT" and resid 90  and name HA  ))
  (( segid "PROT" and resid 90  and name HB2  ))
     6 6 0 peak 13772 weight  0.1000E+01 volume 25.93930 ppm1 4.446 ppm2 1.817
ASSI { 13782}
  (( segid "PROT" and resid 90  and name HB1  ))
  (( segid "PROT" and resid 90  and name HG  ))
     6 6 0 peak 13782 weight  0.1000E+01 volume 10.53010 ppm1 2.138 ppm2 1.413
ASSI { 13792}
  (( segid "PROT" and resid 90  and name HB2  ))
  (( segid "PROT" and resid 90  and name HD2#  ))
     6 6 0 peak 13792 weight  0.1000E+01 volume 23.91330 ppm1 1.827 ppm2 0.984
ASSI { 13802}
  (( segid "PROT" and resid 90  and name HG  ))
  (( segid "PROT" and resid 90  and name HD2#  ))
     6 6 0 peak 13802 weight  0.1000E+01 volume 31.20740 ppm1 1.416 ppm2 0.983
ASSI { 13812}
  (( segid "PROT" and resid 90  and name HA  ))
  (( segid "PROT" and resid 90  and name HD2#  ))
     6 6 0 peak 13812 weight  0.1000E+01 volume 23.85900 ppm1 4.455 ppm2 0.986
ASSI { 13822}
  (( segid "PROT" and resid 19  and name HA  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 13822 weight  0.1000E+01 volume 7.14400 ppm1 4.422 ppm2 1.085
ASSI { 13832}
  (( segid "PROT" and resid 87  and name HA  ))
  (( segid "PROT" and resid 90  and name HD1#  ))
     6 6 0 peak 13832 weight  0.1000E+01 volume 19.23800 ppm1 4.456 ppm2 0.989
ASSI { 13842}
  (( segid "PROT" and resid 91  and name HA  ))
  (( segid "PROT" and resid 90  and name HD1#  ))
     6 6 0 peak 13842 weight  0.1000E+01 volume 4.21100 ppm1 4.005 ppm2 0.988
ASSI { 13852}
  (( segid "PROT" and resid 101  and name HZ  ))
  (( segid "PROT" and resid 97  and name HG1  ))
     6 6 0 peak 13852 weight  0.1000E+01 volume 1.33780 ppm1 7.143 ppm2 1.016
ASSI { 13862}
  (( segid "PROT" and resid 101  and name HE1  ))
  (( segid "PROT" and resid 97  and name HG1  ))
     6 6 0 peak 13862 weight  0.1000E+01 volume 1.64950 ppm1 7.313 ppm2 1.010
ASSI { 13872}
  (( segid "PROT" and resid 53  and name HA  ))
  (( segid "PROT" and resid 90  and name HD1#  ))
     6 6 0 peak 13872 weight  0.1000E+01 volume 6.92640 ppm1 3.536 ppm2 0.987
ASSI { 13882}
  (( segid "PROT" and resid 97  and name HD1  ))
  (( segid "PROT" and resid 97  and name HG1  ))
     6 6 0 peak 13882 weight  0.1000E+01 volume 16.05010 ppm1 3.011 ppm2 1.016
ASSI { 13892}
  (( segid "PROT" and resid 90  and name HB1  ))
  (( segid "PROT" and resid 90  and name HD1#  ))
     6 6 0 peak 13892 weight  0.1000E+01 volume 10.46480 ppm1 2.139 ppm2 0.987
ASSI { 13902}
  (( segid "PROT" and resid 90  and name HB2  ))
  (( segid "PROT" and resid 90  and name HD1#  ))
     6 6 0 peak 13902 weight  0.1000E+01 volume 12.57830 ppm1 1.828 ppm2 0.989
ASSI { 13912}
  (( segid "PROT" and resid 90  and name HG  ))
  (( segid "PROT" and resid 90  and name HD1#  ))
     6 6 0 peak 13912 weight  0.1000E+01 volume 31.92120 ppm1 1.418 ppm2 0.985
ASSI { 13922}
  (( segid "PROT" and resid 97  and name HB2  ))
  (( segid "PROT" and resid 97  and name HG1  ))
     6 6 0 peak 13922 weight  0.1000E+01 volume 8.78210 ppm1 1.344 ppm2 1.015
ASSI { 13932}
  (( segid "PROT" and resid 97  and name HB1  ))
  (( segid "PROT" and resid 97  and name HG1  ))
     6 6 0 peak 13932 weight  0.1000E+01 volume 12.65540 ppm1 1.604 ppm2 1.018
ASSI { 13942}
  (( segid "PROT" and resid 97  and name HG2  ))
  (( segid "PROT" and resid 97  and name HG1  ))
     6 6 0 peak 13942 weight  0.1000E+01 volume 22.16300 ppm1 0.687 ppm2 1.012
ASSI { 13952}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 22  and name HD1#  ))
     6 6 0 peak 13952 weight  0.1000E+01 volume 3.78420 ppm1 0.580 ppm2 1.083
ASSI { 13962}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 13962 weight  0.1000E+01 volume 17.67250 ppm1 0.891 ppm2 3.623
ASSI { 13972}
  (( segid "PROT" and resid 105  and name HB1  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 13972 weight  0.1000E+01 volume 4.08720 ppm1 1.512 ppm2 3.627
ASSI { 13982}
  (( segid "PROT" and resid 28  and name HG2  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 13982 weight  0.1000E+01 volume 3.42440 ppm1 2.057 ppm2 3.641
ASSI { 13992}
  (( segid "PROT" and resid 25  and name HA  ))
  (( segid "PROT" and resid 105  and name HA  ))
     6 6 0 peak 13992 weight  0.1000E+01 volume 0.92270 ppm1 4.119 ppm2 3.634
ASSI { 14002}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 105  and name HG  ))
     6 6 0 peak 14002 weight  0.1000E+01 volume 11.01640 ppm1 0.392 ppm2 1.645
ASSI { 14012}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 105  and name HG  ))
     6 6 0 peak 14012 weight  0.1000E+01 volume 11.48250 ppm1 0.570 ppm2 1.641
ASSI { 14022}
  (( segid "PROT" and resid 105  and name HA  ))
  (( segid "PROT" and resid 105  and name HG  ))
     6 6 0 peak 14022 weight  0.1000E+01 volume 4.09760 ppm1 3.633 ppm2 1.649
ASSI { 14032}
  (( segid "PROT" and resid 5  and name HA  ))
  (( segid "PROT" and resid 5  and name HG1  ))
     6 6 0 peak 14032 weight  0.1000E+01 volume 18.70990 ppm1 4.328 ppm2 1.600
ASSI { 14042}
  (( segid "PROT" and resid 35  and name HZ  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 14042 weight  0.1000E+01 volume 2.59230 ppm1 7.036 ppm2 0.388
ASSI { 14052}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 14052 weight  0.1000E+01 volume 2.95580 ppm1 7.088 ppm2 0.387
ASSI { 14062}
  (( segid "PROT" and resid 105  and name HB2  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 14062 weight  0.1000E+01 volume 13.58860 ppm1 1.112 ppm2 0.388
ASSI { 14072}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 14072 weight  0.1000E+01 volume 28.27450 ppm1 0.567 ppm2 0.392
ASSI { 14082}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 14082 weight  0.1000E+01 volume 20.91930 ppm1 0.896 ppm2 0.563
ASSI { 14092}
  (( segid "PROT" and resid 32  and name HA  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 14092 weight  0.1000E+01 volume 17.40770 ppm1 4.367 ppm2 0.563
ASSI { 14112}
  (( segid "PROT" and resid 43  and name HD2#  ))
  (( segid "PROT" and resid 43  and name HG  ))
     6 6 0 peak 14112 weight  0.1000E+01 volume 77.89970 ppm1 0.840 ppm2 1.470
ASSI { 14122}
  (( segid "PROT" and resid 120  and name HB2  ))
  (( segid "PROT" and resid 120  and name HA  ))
     6 6 0 peak 14122 weight  0.1000E+01 volume 14.20140 ppm1 1.632 ppm2 4.429
ASSI { 14132}
  (( segid "PROT" and resid 120  and name HB1  ))
  (( segid "PROT" and resid 120  and name HA  ))
     6 6 0 peak 14132 weight  0.1000E+01 volume 25.01080 ppm1 1.775 ppm2 4.432
ASSI { 14142}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 120  and name HA  ))
     6 6 0 peak 14142 weight  0.1000E+01 volume 3.67100 ppm1 7.390 ppm2 4.430
ASSI { 14162}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 14162 weight  0.1000E+01 volume 6.82480 ppm1 7.392 ppm2 0.608
ASSI { 14172}
  (( segid "PROT" and resid 17  and name HA  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 14172 weight  0.1000E+01 volume 3.70360 ppm1 4.186 ppm2 0.614
ASSI { 14182}
  (( segid "PROT" and resid 17  and name HB#  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 14182 weight  0.1000E+01 volume 15.10060 ppm1 1.346 ppm2 0.610
ASSI { 14192}
  (( segid "PROT" and resid 14  and name HG  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 14192 weight  0.1000E+01 volume 6.43050 ppm1 1.400 ppm2 0.610
ASSI { 14202}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 14202 weight  0.1000E+01 volume 6.78220 ppm1 0.258 ppm2 0.612
ASSI { 14212}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 120  and name HD2#  ))
     6 6 0 peak 14212 weight  0.1000E+01 volume 16.49740 ppm1 7.387 ppm2 0.663
ASSI { 14222}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 120  and name HD2#  ))
     6 6 0 peak 14222 weight  0.1000E+01 volume 6.01200 ppm1 0.267 ppm2 0.662
ASSI { 14232}
  (( segid "PROT" and resid 17  and name HB#  ))
  (( segid "PROT" and resid 120  and name HD2#  ))
     6 6 0 peak 14232 weight  0.1000E+01 volume 37.48560 ppm1 1.339 ppm2 0.657
ASSI { 14242}
  (( segid "PROT" and resid 22  and name HD1#  ))
  (( segid "PROT" and resid 22  and name HA  ))
     6 6 0 peak 14242 weight  0.1000E+01 volume 20.29860 ppm1 1.097 ppm2 4.310
ASSI { 14252}
  (( segid "PROT" and resid 72  and name HB2  ))
  (( segid "PROT" and resid 72  and name HA  ))
     6 6 0 peak 14252 weight  0.1000E+01 volume 41.10180 ppm1 2.130 ppm2 4.294
ASSI { 14262}
  (( segid "PROT" and resid 85  and name HB1  ))
  (( segid "PROT" and resid 85  and name HA  ))
     6 6 0 peak 14262 weight  0.1000E+01 volume 1.93650 ppm1 2.492 ppm2 4.188
ASSI { 14272}
  (( segid "PROT" and resid 22  and name HD2#  ))
  (( segid "PROT" and resid 22  and name HB2  ))
     6 6 0 peak 14272 weight  0.1000E+01 volume 12.59660 ppm1 1.088 ppm2 2.065
ASSI { 14282}
  (( segid "PROT" and resid 22  and name HG  ))
  (( segid "PROT" and resid 22  and name HB1  ))
     6 6 0 peak 14282 weight  0.1000E+01 volume 4.86680 ppm1 1.871 ppm2 2.208
ASSI { 14292}
  (( segid "PROT" and resid 22  and name HG  ))
  (( segid "PROT" and resid 22  and name HB2  ))
     6 6 0 peak 14292 weight  0.1000E+01 volume 6.86150 ppm1 1.875 ppm2 2.067
ASSI { 14302}
  (( segid "PROT" and resid 22  and name HA  ))
  (( segid "PROT" and resid 22  and name HB1  ))
     6 6 0 peak 14302 weight  0.1000E+01 volume 3.28170 ppm1 4.313 ppm2 2.212
ASSI { 14312}
  (( segid "PROT" and resid 19  and name HA  ))
  (( segid "PROT" and resid 22  and name HB1  ))
     6 6 0 peak 14312 weight  0.1000E+01 volume 2.53090 ppm1 4.422 ppm2 2.212
ASSI { 14322}
  (( segid "PROT" and resid 19  and name HA  ))
  (( segid "PROT" and resid 22  and name HB2  ))
     6 6 0 peak 14322 weight  0.1000E+01 volume 5.60400 ppm1 4.422 ppm2 2.058
ASSI { 14332}
  (( segid "PROT" and resid 22  and name HA  ))
  (( segid "PROT" and resid 22  and name HB2  ))
     6 6 0 peak 14332 weight  0.1000E+01 volume 4.16150 ppm1 4.306 ppm2 2.065
ASSI { 14342}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 22  and name HB2  ))
     6 6 0 peak 14342 weight  0.1000E+01 volume 3.02240 ppm1 6.616 ppm2 2.065
ASSI { 14352}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 22  and name HB1  ))
     6 6 0 peak 14352 weight  0.1000E+01 volume 1.81490 ppm1 6.613 ppm2 2.206
ASSI { 14362}
  (( segid "PROT" and resid 70  and name HB2  ))
  (( segid "PROT" and resid 70  and name HB1  ))
     6 6 0 peak 14362 weight  0.1000E+01 volume 9.23020 ppm1 1.084 ppm2 1.997
ASSI { 14372}
  (( segid "PROT" and resid 22  and name HD2#  ))
  (( segid "PROT" and resid 22  and name HG  ))
     6 6 0 peak 14372 weight  0.1000E+01 volume 25.54810 ppm1 1.093 ppm2 1.868
ASSI { 14382}
  (( segid "PROT" and resid 22  and name HG  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14382 weight  0.1000E+01 volume 22.44220 ppm1 1.873 ppm2 1.095
ASSI { 14392}
  (( segid "PROT" and resid 22  and name HB2  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14392 weight  0.1000E+01 volume 26.81400 ppm1 2.055 ppm2 1.099
ASSI { 14402}
  (( segid "PROT" and resid 22  and name HB1  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14402 weight  0.1000E+01 volume 16.59690 ppm1 2.211 ppm2 1.096
ASSI { 14412}
  (( segid "PROT" and resid 7  and name HB1  ))
  (( segid "PROT" and resid 7  and name HG1  ))
     6 6 0 peak 14412 weight  0.1000E+01 volume 44.95640 ppm1 1.600 ppm2 1.098
ASSI { 14422}
  (( segid "PROT" and resid 59  and name HB1  ))
  (( segid "PROT" and resid 22  and name HD1#  ))
     6 6 0 peak 14422 weight  0.1000E+01 volume 17.03770 ppm1 1.699 ppm2 1.096
ASSI { 14432}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14432 weight  0.1000E+01 volume 9.51610 ppm1 0.236 ppm2 1.099
ASSI { 14442}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14442 weight  0.1000E+01 volume 6.52100 ppm1 0.347 ppm2 1.096
ASSI { 14452}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14452 weight  0.1000E+01 volume 23.02220 ppm1 0.579 ppm2 1.099
ASSI { 14462}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14462 weight  0.1000E+01 volume 16.07560 ppm1 0.670 ppm2 1.099
ASSI { 14472}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14472 weight  0.1000E+01 volume 5.56840 ppm1 -0.259 ppm2 1.102
ASSI { 14482}
  (( segid "PROT" and resid 22  and name HB1  ))
  (( segid "PROT" and resid 22  and name HD1#  ))
     6 6 0 peak 14482 weight  0.1000E+01 volume 13.26270 ppm1 2.213 ppm2 1.089
ASSI { 14492}
  (( segid "PROT" and resid 22  and name HB2  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14492 weight  0.1000E+01 volume 12.64640 ppm1 2.040 ppm2 1.087
ASSI { 14502}
  (( segid "PROT" and resid 22  and name HG  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14502 weight  0.1000E+01 volume 28.14660 ppm1 1.873 ppm2 1.090
ASSI { 14512}
  (( segid "PROT" and resid 22  and name HA  ))
  (( segid "PROT" and resid 22  and name HD1#  ))
     6 6 0 peak 14512 weight  0.1000E+01 volume 5.14870 ppm1 4.313 ppm2 1.086
ASSI { 14522}
  (( segid "PROT" and resid 22  and name HA  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14522 weight  0.1000E+01 volume 16.90280 ppm1 4.314 ppm2 1.100
ASSI { 14532}
  (( segid "PROT" and resid 59  and name HA  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14532 weight  0.1000E+01 volume 5.79540 ppm1 3.839 ppm2 1.097
ASSI { 14542}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14542 weight  0.1000E+01 volume 33.99480 ppm1 6.608 ppm2 1.095
ASSI { 14552}
  (( segid "PROT" and resid 26  and name HD1  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 14552 weight  0.1000E+01 volume 4.97880 ppm1 6.960 ppm2 1.099
ASSI { 14562}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 22  and name HG  ))
     6 6 0 peak 14562 weight  0.1000E+01 volume 4.50020 ppm1 6.606 ppm2 1.870
ASSI { 14572}
  (( segid "PROT" and resid 26  and name HD1  ))
  (( segid "PROT" and resid 22  and name HG  ))
     6 6 0 peak 14572 weight  0.1000E+01 volume 2.63790 ppm1 6.926 ppm2 1.869
ASSI { 14582}
  (( segid "PROT" and resid 22  and name HD1#  ))
  (( segid "PROT" and resid 22  and name HB1  ))
     6 6 0 peak 14582 weight  0.1000E+01 volume 18.75310 ppm1 1.095 ppm2 2.215
ASSI { 14592}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 22  and name HA  ))
     6 6 0 peak 14592 weight  0.1000E+01 volume 2.51730 ppm1 6.611 ppm2 4.312
ASSI { 14602}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 19  and name HA  ))
     6 6 0 peak 14602 weight  0.1000E+01 volume 6.33040 ppm1 0.737 ppm2 4.419
ASSI { 14612}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 19  and name HA  ))
     6 6 0 peak 14612 weight  0.1000E+01 volume 2.35600 ppm1 0.839 ppm2 4.424
ASSI { 14622}
  (( segid "PROT" and resid 19  and name HE#  ))
  (( segid "PROT" and resid 19  and name HA  ))
     6 6 0 peak 14622 weight  0.1000E+01 volume 7.42950 ppm1 2.047 ppm2 4.416
ASSI { 14632}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 19  and name HB1  ))
     6 6 0 peak 14632 weight  0.1000E+01 volume 2.54450 ppm1 0.736 ppm2 2.208
ASSI { 14642}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 19  and name HB1  ))
     6 6 0 peak 14642 weight  0.1000E+01 volume 5.35970 ppm1 0.850 ppm2 2.203
ASSI { 14652}
  (( segid "PROT" and resid 20  and name HD1  ))
  (( segid "PROT" and resid 19  and name HB1  ))
     6 6 0 peak 14652 weight  0.1000E+01 volume 42.13940 ppm1 3.634 ppm2 2.203
ASSI { 14662}
  (( segid "PROT" and resid 20  and name HD1  ))
  (( segid "PROT" and resid 19  and name HG1  ))
     6 6 0 peak 14662 weight  0.1000E+01 volume 2.25380 ppm1 3.626 ppm2 2.660
ASSI { 14672}
  (( segid "PROT" and resid 20  and name HD1  ))
  (( segid "PROT" and resid 19  and name HG2  ))
     6 6 0 peak 14672 weight  0.1000E+01 volume 2.97460 ppm1 3.615 ppm2 2.558
ASSI { 14682}
  (( segid "PROT" and resid 19  and name HA  ))
  (( segid "PROT" and resid 19  and name HG2  ))
     6 6 0 peak 14682 weight  0.1000E+01 volume 4.31320 ppm1 4.421 ppm2 2.556
ASSI { 14692}
  (( segid "PROT" and resid 19  and name HB1  ))
  (( segid "PROT" and resid 19  and name HG1  ))
     6 6 0 peak 14692 weight  0.1000E+01 volume 34.08780 ppm1 2.224 ppm2 2.664
ASSI { 14702}
  (( segid "PROT" and resid 19  and name HB1  ))
  (( segid "PROT" and resid 19  and name HG2  ))
     6 6 0 peak 14702 weight  0.1000E+01 volume 16.22540 ppm1 2.223 ppm2 2.544
ASSI { 14712}
  (( segid "PROT" and resid 15  and name HG2  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 14712 weight  0.1000E+01 volume 27.17340 ppm1 1.460 ppm2 2.014
ASSI { 14722}
  (( segid "PROT" and resid 15  and name HG1  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 14722 weight  0.1000E+01 volume 13.08590 ppm1 1.550 ppm2 2.013
ASSI { 14732}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 14732 weight  0.1000E+01 volume 6.08770 ppm1 3.681 ppm2 2.010
ASSI { 14742}
  (( segid "PROT" and resid 19  and name HA  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 14742 weight  0.1000E+01 volume 7.29250 ppm1 4.421 ppm2 2.015
ASSI { 14752}
  (( segid "PROT" and resid 19  and name HE#  ))
  (( segid "PROT" and resid 19  and name HG1  ))
     6 6 0 peak 14752 weight  0.1000E+01 volume 15.93820 ppm1 2.001 ppm2 2.652
ASSI { 14762}
  (( segid "PROT" and resid 57  and name HG1  ))
  (( segid "PROT" and resid 57  and name HE#  ))
     6 6 0 peak 14762 weight  0.1000E+01 volume 14.41840 ppm1 3.004 ppm2 1.994
ASSI { 14772}
  (( segid "PROT" and resid 57  and name HA  ))
  (( segid "PROT" and resid 57  and name HB2  ))
     6 6 0 peak 14772 weight  0.1000E+01 volume 2.04950 ppm1 5.064 ppm2 1.262
ASSI { 14782}
  (( segid "PROT" and resid 57  and name HE#  ))
  (( segid "PROT" and resid 57  and name HB2  ))
     6 6 0 peak 14782 weight  0.1000E+01 volume 3.60210 ppm1 1.987 ppm2 1.262
ASSI { 14792}
  (( segid "PROT" and resid 60  and name HB2  ))
  (( segid "PROT" and resid 60  and name HB1  ))
     6 6 0 peak 14792 weight  0.1000E+01 volume 7.76260 ppm1 3.975 ppm2 4.353
ASSI { 14802}
  (( segid "PROT" and resid 60  and name HB1  ))
  (( segid "PROT" and resid 60  and name HB2  ))
     6 6 0 peak 14802 weight  0.1000E+01 volume 21.76000 ppm1 4.350 ppm2 3.974
ASSI { 14812}
  (( segid "PROT" and resid 60  and name HA  ))
  (( segid "PROT" and resid 60  and name HB2  ))
     6 6 0 peak 14812 weight  0.1000E+01 volume 15.69380 ppm1 4.238 ppm2 3.978
ASSI { 14822}
  (( segid "PROT" and resid 60  and name HB2  ))
  (( segid "PROT" and resid 60  and name HA  ))
     6 6 0 peak 14822 weight  0.1000E+01 volume 4.22090 ppm1 3.973 ppm2 4.241
ASSI { 14832}
  (( segid "PROT" and resid 60  and name HB1  ))
  (( segid "PROT" and resid 60  and name HA  ))
     6 6 0 peak 14832 weight  0.1000E+01 volume 15.17950 ppm1 4.351 ppm2 4.245
ASSI { 14842}
  (( segid "PROT" and resid 103  and name HB2  ))
  (( segid "PROT" and resid 103  and name HB1  ))
     6 6 0 peak 14842 weight  0.1000E+01 volume 7.71120 ppm1 4.112 ppm2 4.243
ASSI { 14852}
  (( segid "PROT" and resid 96  and name HB2  ))
  (( segid "PROT" and resid 96  and name HB1  ))
     6 6 0 peak 14852 weight  0.1000E+01 volume 9.43840 ppm1 3.998 ppm2 4.346
ASSI { 14862}
  (( segid "PROT" and resid 96  and name HA  ))
  (( segid "PROT" and resid 96  and name HB2  ))
     6 6 0 peak 14862 weight  0.1000E+01 volume 3.71540 ppm1 4.422 ppm2 3.995
ASSI { 14872}
  (( segid "PROT" and resid 96  and name HB1  ))
  (( segid "PROT" and resid 96  and name HB2  ))
     6 6 0 peak 14872 weight  0.1000E+01 volume 5.40740 ppm1 4.346 ppm2 3.995
ASSI { 14882}
  (( segid "PROT" and resid 103  and name HA  ))
  (( segid "PROT" and resid 103  and name HB2  ))
     6 6 0 peak 14882 weight  0.1000E+01 volume 7.67060 ppm1 4.452 ppm2 4.124
ASSI { 14892}
  (( segid "PROT" and resid 103  and name HA  ))
  (( segid "PROT" and resid 103  and name HB1  ))
     6 6 0 peak 14892 weight  0.1000E+01 volume 3.36700 ppm1 4.451 ppm2 4.243
ASSI { 14902}
  (( segid "PROT" and resid 105  and name HB2  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 14902 weight  0.1000E+01 volume 1.34280 ppm1 1.123 ppm2 3.244
ASSI { 14912}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 14912 weight  0.1000E+01 volume 2.18310 ppm1 6.056 ppm2 3.237
ASSI { 14922}
  (( segid "PROT" and resid 102  and name HA  ))
  (( segid "PROT" and resid 102  and name HB1  ))
     6 6 0 peak 14922 weight  0.1000E+01 volume 6.55040 ppm1 3.234 ppm2 3.038
ASSI { 14932}
  (( segid "PROT" and resid 102  and name HA  ))
  (( segid "PROT" and resid 102  and name HB2  ))
     6 6 0 peak 14932 weight  0.1000E+01 volume 5.30840 ppm1 3.242 ppm2 2.705
ASSI { 14942}
  (( segid "PROT" and resid 102  and name HB1  ))
  (( segid "PROT" and resid 102  and name HB2  ))
     6 6 0 peak 14942 weight  0.1000E+01 volume 7.71140 ppm1 3.039 ppm2 2.708
ASSI { 14952}
  (( segid "PROT" and resid 99  and name HA  ))
  (( segid "PROT" and resid 102  and name HB2  ))
     6 6 0 peak 14952 weight  0.1000E+01 volume 1.92100 ppm1 3.782 ppm2 2.701
ASSI { 14962}
  (( segid "PROT" and resid 99  and name HA  ))
  (( segid "PROT" and resid 102  and name HB1  ))
     6 6 0 peak 14962 weight  0.1000E+01 volume 3.57630 ppm1 3.788 ppm2 3.040
ASSI { 14972}
  (( segid "PROT" and resid 35  and name HZ  ))
  (( segid "PROT" and resid 102  and name HB1  ))
     6 6 0 peak 14972 weight  0.1000E+01 volume 2.35610 ppm1 7.033 ppm2 3.035
ASSI { 14982}
  (( segid "PROT" and resid 35  and name HZ  ))
  (( segid "PROT" and resid 102  and name HB2  ))
     6 6 0 peak 14982 weight  0.1000E+01 volume 4.31560 ppm1 7.031 ppm2 2.704
ASSI { 14992}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 102  and name HB2  ))
     6 6 0 peak 14992 weight  0.1000E+01 volume 1.35610 ppm1 7.349 ppm2 2.704
ASSI { 15002}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 102  and name HB1  ))
     6 6 0 peak 15002 weight  0.1000E+01 volume 0.98260 ppm1 7.349 ppm2 3.033
ASSI { 15012}
  (( segid "PROT" and resid 88  and name HB#  ))
  (( segid "PROT" and resid 102  and name HB1  ))
     6 6 0 peak 15012 weight  0.1000E+01 volume 2.39980 ppm1 1.746 ppm2 3.036
ASSI { 15022}
  (( segid "PROT" and resid 88  and name HB#  ))
  (( segid "PROT" and resid 102  and name HB2  ))
     6 6 0 peak 15022 weight  0.1000E+01 volume 2.96130 ppm1 1.751 ppm2 2.708
ASSI { 15032}
  (( segid "PROT" and resid 30  and name HA  ))
  (( segid "PROT" and resid 29  and name HA  ))
     6 6 0 peak 15032 weight  0.1000E+01 volume 6.94110 ppm1 5.039 ppm2 4.722
ASSI { 15042}
  (( segid "PROT" and resid 29  and name HB2  ))
  (( segid "PROT" and resid 29  and name HA  ))
     6 6 0 peak 15042 weight  0.1000E+01 volume 3.02170 ppm1 2.259 ppm2 4.721
ASSI { 15052}
  (( segid "PROT" and resid 33  and name HB1  ))
  (( segid "PROT" and resid 29  and name HA  ))
     6 6 0 peak 15052 weight  0.1000E+01 volume 1.59800 ppm1 2.118 ppm2 4.717
ASSI { 15062}
  (( segid "PROT" and resid 58  and name HA  ))
  (( segid "PROT" and resid 58  and name HB2  ))
     6 6 0 peak 15062 weight  0.1000E+01 volume 3.03220 ppm1 4.866 ppm2 2.301
ASSI { 15072}
  (( segid "PROT" and resid 58  and name HA  ))
  (( segid "PROT" and resid 58  and name HB1  ))
     6 6 0 peak 15072 weight  0.1000E+01 volume 7.56500 ppm1 4.863 ppm2 2.588
ASSI { 15082}
  (( segid "PROT" and resid 58  and name HB2  ))
  (( segid "PROT" and resid 58  and name HB1  ))
     6 6 0 peak 15082 weight  0.1000E+01 volume 7.39880 ppm1 2.298 ppm2 2.596
ASSI { 15092}
  (( segid "PROT" and resid 40  and name HA  ))
  (( segid "PROT" and resid 40  and name HB1  ))
     6 6 0 peak 15092 weight  0.1000E+01 volume 4.32930 ppm1 5.084 ppm2 2.928
ASSI { 15102}
  (( segid "PROT" and resid 40  and name HA  ))
  (( segid "PROT" and resid 40  and name HB2  ))
     6 6 0 peak 15102 weight  0.1000E+01 volume 8.55460 ppm1 5.085 ppm2 2.389
ASSI { 15112}
  (( segid "PROT" and resid 29  and name HB2  ))
  (( segid "PROT" and resid 29  and name HB1  ))
     6 6 0 peak 15112 weight  0.1000E+01 volume 18.62620 ppm1 2.255 ppm2 2.768
ASSI { 15122}
  (( segid "PROT" and resid 29  and name HB1  ))
  (( segid "PROT" and resid 29  and name HB2  ))
     6 6 0 peak 15122 weight  0.1000E+01 volume 10.43960 ppm1 2.773 ppm2 2.256
ASSI { 15132}
  (( segid "PROT" and resid 41  and name HG2  ))
  (( segid "PROT" and resid 40  and name HA  ))
     6 6 0 peak 15132 weight  0.1000E+01 volume 1.93880 ppm1 1.091 ppm2 5.082
ASSI { 15142}
  (( segid "PROT" and resid 41  and name HG1  ))
  (( segid "PROT" and resid 40  and name HA  ))
     6 6 0 peak 15142 weight  0.1000E+01 volume 4.92750 ppm1 1.576 ppm2 5.084
ASSI { 15152}
  (( segid "PROT" and resid 40  and name HB1  ))
  (( segid "PROT" and resid 40  and name HA  ))
     6 6 0 peak 15152 weight  0.1000E+01 volume 10.04480 ppm1 2.932 ppm2 5.084
ASSI { 15162}
  (( segid "PROT" and resid 41  and name HD2  ))
  (( segid "PROT" and resid 40  and name HA  ))
     6 6 0 peak 15162 weight  0.1000E+01 volume 3.65430 ppm1 3.738 ppm2 5.085
ASSI { 15172}
  (( segid "PROT" and resid 40  and name HB2  ))
  (( segid "PROT" and resid 40  and name HB1  ))
     6 6 0 peak 15172 weight  0.1000E+01 volume 22.28200 ppm1 2.386 ppm2 2.936
ASSI { 15182}
  (( segid "PROT" and resid 40  and name HB1  ))
  (( segid "PROT" and resid 40  and name HB2  ))
     6 6 0 peak 15182 weight  0.1000E+01 volume 22.25250 ppm1 2.927 ppm2 2.387
ASSI { 15192}
  (( segid "PROT" and resid 65  and name HD1  ))
  (( segid "PROT" and resid 65  and name HE1  ))
     6 6 0 peak 15192 weight  0.1000E+01 volume 12.11870 ppm1 1.556 ppm2 2.375
ASSI { 15202}
  (( segid "PROT" and resid 48  and name HB1  ))
  (( segid "PROT" and resid 48  and name HA  ))
     6 6 0 peak 15202 weight  0.1000E+01 volume 8.88270 ppm1 3.124 ppm2 4.606
ASSI { 15212}
  (( segid "PROT" and resid 48  and name HB1  ))
  (( segid "PROT" and resid 48  and name HB2  ))
     6 6 0 peak 15212 weight  0.1000E+01 volume 7.90780 ppm1 3.122 ppm2 2.621
ASSI { 15222}
  (( segid "PROT" and resid 48  and name HA  ))
  (( segid "PROT" and resid 48  and name HB1  ))
     6 6 0 peak 15222 weight  0.1000E+01 volume 3.27770 ppm1 4.601 ppm2 3.115
ASSI { 15232}
  (( segid "PROT" and resid 48  and name HA  ))
  (( segid "PROT" and resid 48  and name HB2  ))
     6 6 0 peak 15232 weight  0.1000E+01 volume 5.94500 ppm1 4.597 ppm2 2.647
ASSI { 15242}
  (( segid "PROT" and resid 83  and name HD1#  ))
  (( segid "PROT" and resid 57  and name HA  ))
     6 6 0 peak 15242 weight  0.1000E+01 volume 3.06900 ppm1 0.888 ppm2 5.067
ASSI { 15252}
  (( segid "PROT" and resid 65  and name HG2  ))
  (( segid "PROT" and resid 65  and name HE1  ))
     6 6 0 peak 15252 weight  0.1000E+01 volume 6.86060 ppm1 0.738 ppm2 2.380
ASSI { 15262}
  (( segid "PROT" and resid 68  and name HG2#  ))
  (( segid "PROT" and resid 67  and name HB1  ))
     6 6 0 peak 15262 weight  0.1000E+01 volume 7.60150 ppm1 1.224 ppm2 2.831
ASSI { 15272}
  (( segid "PROT" and resid 68  and name HG2#  ))
  (( segid "PROT" and resid 67  and name HB2  ))
     6 6 0 peak 15272 weight  0.1000E+01 volume 4.60710 ppm1 1.224 ppm2 2.581
ASSI { 15282}
  (( segid "PROT" and resid 67  and name HB2  ))
  (( segid "PROT" and resid 67  and name HB1  ))
     6 6 0 peak 15282 weight  0.1000E+01 volume 21.62540 ppm1 2.594 ppm2 2.851
ASSI { 15292}
  (( segid "PROT" and resid 67  and name HB1  ))
  (( segid "PROT" and resid 67  and name HB2  ))
     6 6 0 peak 15292 weight  0.1000E+01 volume 11.17730 ppm1 2.843 ppm2 2.588
ASSI { 15302}
  (( segid "PROT" and resid 83  and name HB1  ))
  (( segid "PROT" and resid 80  and name HA  ))
     6 6 0 peak 15302 weight  0.1000E+01 volume 6.54870 ppm1 2.171 ppm2 4.556
ASSI { 15312}
  (( segid "PROT" and resid 83  and name HB2  ))
  (( segid "PROT" and resid 80  and name HA  ))
     6 6 0 peak 15312 weight  0.1000E+01 volume 5.23950 ppm1 1.632 ppm2 4.534
ASSI { 15322}
  (( segid "PROT" and resid 80  and name HB2  ))
  (( segid "PROT" and resid 80  and name HA  ))
     6 6 0 peak 15322 weight  0.1000E+01 volume 1.91200 ppm1 2.496 ppm2 4.551
ASSI { 15332}
  (( segid "PROT" and resid 76  and name HA  ))
  (( segid "PROT" and resid 79  and name HB1  ))
     6 6 0 peak 15332 weight  0.1000E+01 volume 2.75650 ppm1 3.887 ppm2 2.854
ASSI { 15342}
  (( segid "PROT" and resid 76  and name HA  ))
  (( segid "PROT" and resid 79  and name HB2  ))
     6 6 0 peak 15342 weight  0.1000E+01 volume 2.40010 ppm1 3.882 ppm2 2.698
ASSI { 15352}
  (( segid "PROT" and resid 80  and name HA  ))
  (( segid "PROT" and resid 80  and name HB2  ))
     6 6 0 peak 15352 weight  0.1000E+01 volume 2.13020 ppm1 4.552 ppm2 2.508
ASSI { 15362}
  (( segid "PROT" and resid 80  and name HB1  ))
  (( segid "PROT" and resid 80  and name HB2  ))
     6 6 0 peak 15362 weight  0.1000E+01 volume 2.97310 ppm1 2.790 ppm2 2.502
ASSI { 15372}
  (( segid "PROT" and resid 117  and name HB1  ))
  (( segid "PROT" and resid 114  and name HA  ))
     6 6 0 peak 15372 weight  0.1000E+01 volume 2.13090 ppm1 2.208 ppm2 4.559
ASSI { 15382}
  (( segid "PROT" and resid 115  and name HD1  ))
  (( segid "PROT" and resid 114  and name HB1  ))
     6 6 0 peak 15382 weight  0.1000E+01 volume 6.31080 ppm1 3.763 ppm2 2.840
ASSI { 15392}
  (( segid "PROT" and resid 115  and name HD1  ))
  (( segid "PROT" and resid 114  and name HB2  ))
     6 6 0 peak 15392 weight  0.1000E+01 volume 8.71710 ppm1 3.764 ppm2 2.681
ASSI { 15402}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 114  and name HB1  ))
     6 6 0 peak 15402 weight  0.1000E+01 volume 3.91120 ppm1 0.722 ppm2 2.833
ASSI { 15412}
  (( segid "PROT" and resid 69  and name HA2  ))
  (( segid "PROT" and resid 69  and name HA1  ))
     6 6 0 peak 15412 weight  0.1000E+01 volume 16.21310 ppm1 3.909 ppm2 4.253
ASSI { 15422}
  (( segid "PROT" and resid 69  and name HA1  ))
  (( segid "PROT" and resid 69  and name HA2  ))
     6 6 0 peak 15422 weight  0.1000E+01 volume 20.06750 ppm1 4.263 ppm2 3.909
ASSI { 15432}
  (( segid "PROT" and resid 121  and name HA2  ))
  (( segid "PROT" and resid 121  and name HA1  ))
     6 6 0 peak 15432 weight  0.1000E+01 volume 50.09800 ppm1 3.791 ppm2 3.882
ASSI { 15442}
  (( segid "PROT" and resid 121  and name HA1  ))
  (( segid "PROT" and resid 121  and name HA2  ))
     6 6 0 peak 15442 weight  0.1000E+01 volume 87.61800 ppm1 3.876 ppm2 3.791
ASSI { 15452}
  (( segid "PROT" and resid 37  and name HA  ))
  (( segid "PROT" and resid 38  and name HD1  ))
     6 6 0 peak 15452 weight  0.1000E+01 volume 3.96110 ppm1 4.921 ppm2 3.690
ASSI { 15462}
  (( segid "PROT" and resid 37  and name HA  ))
  (( segid "PROT" and resid 38  and name HD2  ))
     6 6 0 peak 15462 weight  0.1000E+01 volume 3.13150 ppm1 4.919 ppm2 3.454
ASSI { 15472}
  (( segid "PROT" and resid 56  and name HD1  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 15472 weight  0.1000E+01 volume 3.35440 ppm1 3.696 ppm2 2.737
ASSI { 15482}
  (( segid "PROT" and resid 57  and name HE#  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 15482 weight  0.1000E+01 volume 2.11140 ppm1 1.988 ppm2 2.731
ASSI { 15492}
  (( segid "PROT" and resid 83  and name HD2#  ))
  (( segid "PROT" and resid 86  and name HB2  ))
     6 6 0 peak 15492 weight  0.1000E+01 volume 1.67630 ppm1 1.105 ppm2 2.904
ASSI { 15502}
  (( segid "PROT" and resid 86  and name HB2  ))
  (( segid "PROT" and resid 86  and name HB1  ))
     6 6 0 peak 15502 weight  0.1000E+01 volume 21.97400 ppm1 2.889 ppm2 3.125
ASSI { 15512}
  (( segid "PROT" and resid 87  and name HB1  ))
  (( segid "PROT" and resid 87  and name HA  ))
     6 6 0 peak 15512 weight  0.1000E+01 volume 6.40700 ppm1 3.080 ppm2 4.452
ASSI { 15522}
  (( segid "PROT" and resid 90  and name HB1  ))
  (( segid "PROT" and resid 87  and name HA  ))
     6 6 0 peak 15522 weight  0.1000E+01 volume 4.43800 ppm1 2.143 ppm2 4.455
ASSI { 15532}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 87  and name HB1  ))
     6 6 0 peak 15532 weight  0.1000E+01 volume 1.28270 ppm1 0.442 ppm2 3.078
ASSI { 15542}
  (( segid "PROT" and resid 92  and name HB1  ))
  (( segid "PROT" and resid 92  and name HA  ))
     6 6 0 peak 15542 weight  0.1000E+01 volume 1.26250 ppm1 3.089 ppm2 4.674
ASSI { 15552}
  (( segid "PROT" and resid 115  and name HB2  ))
  (( segid "PROT" and resid 115  and name HG1  ))
     6 6 0 peak 15552 weight  0.1000E+01 volume 39.65180 ppm1 1.853 ppm2 2.038
ASSI { 15562}
  (( segid "PROT" and resid 112  and name HA  ))
  (( segid "PROT" and resid 112  and name HG2  ))
     6 6 0 peak 15562 weight  0.1000E+01 volume 5.18880 ppm1 4.125 ppm2 2.008
ASSI { 15572}
  (( segid "PROT" and resid 14  and name HB1  ))
  (( segid "PROT" and resid 11  and name HA  ))
     6 6 0 peak 15572 weight  0.1000E+01 volume 3.96620 ppm1 1.661 ppm2 4.234
ASSI { 15582}
  (( segid "PROT" and resid 11  and name HB2  ))
  (( segid "PROT" and resid 11  and name HA  ))
     6 6 0 peak 15582 weight  0.1000E+01 volume 23.02610 ppm1 2.039 ppm2 4.227
ASSI { 15592}
  (( segid "PROT" and resid 11  and name HG2  ))
  (( segid "PROT" and resid 11  and name HA  ))
     6 6 0 peak 15592 weight  0.1000E+01 volume 8.29210 ppm1 2.194 ppm2 4.225
ASSI { 15602}
  (( segid "PROT" and resid 11  and name HD2  ))
  (( segid "PROT" and resid 10  and name HA  ))
     6 6 0 peak 15602 weight  0.1000E+01 volume 4.22430 ppm1 3.900 ppm2 4.681
ASSI { 15612}
  (( segid "PROT" and resid 10  and name HG2  ))
  (( segid "PROT" and resid 10  and name HA  ))
     6 6 0 peak 15612 weight  0.1000E+01 volume 2.58850 ppm1 1.554 ppm2 4.673
ASSI { 15622}
  (( segid "PROT" and resid 10  and name HB2  ))
  (( segid "PROT" and resid 10  and name HA  ))
     6 6 0 peak 15622 weight  0.1000E+01 volume 4.47690 ppm1 1.663 ppm2 4.680
ASSI { 15632}
  (( segid "PROT" and resid 10  and name HB1  ))
  (( segid "PROT" and resid 10  and name HA  ))
     6 6 0 peak 15632 weight  0.1000E+01 volume 3.25960 ppm1 2.179 ppm2 4.680
ASSI { 15642}
  (( segid "PROT" and resid 11  and name HD2  ))
  (( segid "PROT" and resid 11  and name HB2  ))
     6 6 0 peak 15642 weight  0.1000E+01 volume 11.53310 ppm1 3.907 ppm2 2.043
ASSI { 15652}
  (( segid "PROT" and resid 11  and name HD1  ))
  (( segid "PROT" and resid 11  and name HB2  ))
     6 6 0 peak 15652 weight  0.1000E+01 volume 6.42610 ppm1 3.989 ppm2 2.036
ASSI { 15662}
  (( segid "PROT" and resid 11  and name HD2  ))
  (( segid "PROT" and resid 11  and name HB1  ))
     6 6 0 peak 15662 weight  0.1000E+01 volume 4.76520 ppm1 3.904 ppm2 2.444
ASSI { 15672}
  (( segid "PROT" and resid 11  and name HD1  ))
  (( segid "PROT" and resid 11  and name HB1  ))
     6 6 0 peak 15672 weight  0.1000E+01 volume 2.79060 ppm1 3.982 ppm2 2.452
ASSI { 15682}
  (( segid "PROT" and resid 11  and name HA  ))
  (( segid "PROT" and resid 11  and name HB1  ))
     6 6 0 peak 15682 weight  0.1000E+01 volume 11.06170 ppm1 4.233 ppm2 2.442
ASSI { 15692}
  (( segid "PROT" and resid 11  and name HA  ))
  (( segid "PROT" and resid 11  and name HG1  ))
     6 6 0 peak 15692 weight  0.1000E+01 volume 5.79130 ppm1 4.241 ppm2 2.268
ASSI { 15702}
  (( segid "PROT" and resid 11  and name HD1  ))
  (( segid "PROT" and resid 11  and name HG1  ))
     6 6 0 peak 15702 weight  0.1000E+01 volume 9.37380 ppm1 3.991 ppm2 2.266
ASSI { 15712}
  (( segid "PROT" and resid 11  and name HD2  ))
  (( segid "PROT" and resid 11  and name HG1  ))
     6 6 0 peak 15712 weight  0.1000E+01 volume 15.91190 ppm1 3.902 ppm2 2.275
ASSI { 15722}
  (( segid "PROT" and resid 11  and name HA  ))
  (( segid "PROT" and resid 11  and name HG2  ))
     6 6 0 peak 15722 weight  0.1000E+01 volume 17.17280 ppm1 4.242 ppm2 2.183
ASSI { 15732}
  (( segid "PROT" and resid 20  and name HD1  ))
  (( segid "PROT" and resid 20  and name HA  ))
     6 6 0 peak 15732 weight  0.1000E+01 volume 1.62280 ppm1 3.613 ppm2 4.436
ASSI { 15742}
  (( segid "PROT" and resid 20  and name HD2  ))
  (( segid "PROT" and resid 20  and name HA  ))
     6 6 0 peak 15742 weight  0.1000E+01 volume 1.68430 ppm1 3.333 ppm2 4.433
ASSI { 15752}
  (( segid "PROT" and resid 20  and name HB1  ))
  (( segid "PROT" and resid 20  and name HA  ))
     6 6 0 peak 15752 weight  0.1000E+01 volume 8.11630 ppm1 2.416 ppm2 4.437
ASSI { 15762}
  (( segid "PROT" and resid 23  and name HG1  ))
  (( segid "PROT" and resid 20  and name HA  ))
     6 6 0 peak 15762 weight  0.1000E+01 volume 3.17450 ppm1 2.321 ppm2 4.434
ASSI { 15772}
  (( segid "PROT" and resid 20  and name HG1  ))
  (( segid "PROT" and resid 20  and name HA  ))
     6 6 0 peak 15772 weight  0.1000E+01 volume 7.48580 ppm1 2.124 ppm2 4.433
ASSI { 15782}
  (( segid "PROT" and resid 23  and name HB1  ))
  (( segid "PROT" and resid 20  and name HA  ))
     6 6 0 peak 15782 weight  0.1000E+01 volume 8.43150 ppm1 2.043 ppm2 4.434
ASSI { 15792}
  (( segid "PROT" and resid 20  and name HG2  ))
  (( segid "PROT" and resid 20  and name HA  ))
     6 6 0 peak 15792 weight  0.1000E+01 volume 7.91500 ppm1 1.961 ppm2 4.436
ASSI { 15802}
  (( segid "PROT" and resid 20  and name HB2  ))
  (( segid "PROT" and resid 20  and name HA  ))
     6 6 0 peak 15802 weight  0.1000E+01 volume 6.08830 ppm1 1.753 ppm2 4.433
ASSI { 15812}
  (( segid "PROT" and resid 20  and name HD2  ))
  (( segid "PROT" and resid 20  and name HB1  ))
     6 6 0 peak 15812 weight  0.1000E+01 volume 2.27580 ppm1 3.332 ppm2 2.408
ASSI { 15822}
  (( segid "PROT" and resid 20  and name HD1  ))
  (( segid "PROT" and resid 20  and name HB1  ))
     6 6 0 peak 15822 weight  0.1000E+01 volume 0.92340 ppm1 3.621 ppm2 2.409
ASSI { 15832}
  (( segid "PROT" and resid 20  and name HA  ))
  (( segid "PROT" and resid 20  and name HB1  ))
     6 6 0 peak 15832 weight  0.1000E+01 volume 11.27290 ppm1 4.436 ppm2 2.403
ASSI { 15842}
  (( segid "PROT" and resid 20  and name HD2  ))
  (( segid "PROT" and resid 20  and name HB2  ))
     6 6 0 peak 15842 weight  0.1000E+01 volume 1.84510 ppm1 3.329 ppm2 1.752
ASSI { 15852}
  (( segid "PROT" and resid 20  and name HD1  ))
  (( segid "PROT" and resid 20  and name HB2  ))
     6 6 0 peak 15852 weight  0.1000E+01 volume 1.41400 ppm1 3.623 ppm2 1.761
ASSI { 15862}
  (( segid "PROT" and resid 20  and name HA  ))
  (( segid "PROT" and resid 20  and name HB2  ))
     6 6 0 peak 15862 weight  0.1000E+01 volume 11.93390 ppm1 4.436 ppm2 1.743
ASSI { 15872}
  (( segid "PROT" and resid 20  and name HB2  ))
  (( segid "PROT" and resid 20  and name HB1  ))
     6 6 0 peak 15872 weight  0.1000E+01 volume 19.36270 ppm1 1.748 ppm2 2.412
ASSI { 15882}
  (( segid "PROT" and resid 20  and name HB1  ))
  (( segid "PROT" and resid 20  and name HB2  ))
     6 6 0 peak 15882 weight  0.1000E+01 volume 15.17650 ppm1 2.408 ppm2 1.739
ASSI { 15892}
  (( segid "PROT" and resid 20  and name HG1  ))
  (( segid "PROT" and resid 20  and name HB1  ))
     6 6 0 peak 15892 weight  0.1000E+01 volume 8.85570 ppm1 2.130 ppm2 2.414
ASSI { 15902}
  (( segid "PROT" and resid 20  and name HG2  ))
  (( segid "PROT" and resid 20  and name HB1  ))
     6 6 0 peak 15902 weight  0.1000E+01 volume 23.42100 ppm1 1.945 ppm2 2.414
ASSI { 15912}
  (( segid "PROT" and resid 20  and name HD2  ))
  (( segid "PROT" and resid 20  and name HG2  ))
     6 6 0 peak 15912 weight  0.1000E+01 volume 7.13800 ppm1 3.333 ppm2 1.959
ASSI { 15922}
  (( segid "PROT" and resid 20  and name HD1  ))
  (( segid "PROT" and resid 20  and name HG2  ))
     6 6 0 peak 15922 weight  0.1000E+01 volume 8.33810 ppm1 3.615 ppm2 1.955
ASSI { 15932}
  (( segid "PROT" and resid 20  and name HA  ))
  (( segid "PROT" and resid 20  and name HG2  ))
     6 6 0 peak 15932 weight  0.1000E+01 volume 18.35270 ppm1 4.438 ppm2 1.969
ASSI { 15942}
  (( segid "PROT" and resid 20  and name HD2  ))
  (( segid "PROT" and resid 20  and name HG1  ))
     6 6 0 peak 15942 weight  0.1000E+01 volume 8.20470 ppm1 3.333 ppm2 2.124
ASSI { 15952}
  (( segid "PROT" and resid 17  and name HA  ))
  (( segid "PROT" and resid 20  and name HD1  ))
     6 6 0 peak 15952 weight  0.1000E+01 volume 0.94520 ppm1 4.182 ppm2 3.610
ASSI { 15962}
  (( segid "PROT" and resid 20  and name HB1  ))
  (( segid "PROT" and resid 20  and name HD2  ))
     6 6 0 peak 15962 weight  0.1000E+01 volume 3.74620 ppm1 2.413 ppm2 3.328
ASSI { 15972}
  (( segid "PROT" and resid 20  and name HB1  ))
  (( segid "PROT" and resid 20  and name HD1  ))
     6 6 0 peak 15972 weight  0.1000E+01 volume 2.13390 ppm1 2.416 ppm2 3.623
ASSI { 15982}
  (( segid "PROT" and resid 20  and name HB2  ))
  (( segid "PROT" and resid 20  and name HD2  ))
     6 6 0 peak 15982 weight  0.1000E+01 volume 3.17190 ppm1 1.754 ppm2 3.334
ASSI { 15992}
  (( segid "PROT" and resid 20  and name HB2  ))
  (( segid "PROT" and resid 20  and name HD1  ))
     6 6 0 peak 15992 weight  0.1000E+01 volume 3.01580 ppm1 1.755 ppm2 3.609
ASSI { 16002}
  (( segid "PROT" and resid 20  and name HG2  ))
  (( segid "PROT" and resid 20  and name HD2  ))
     6 6 0 peak 16002 weight  0.1000E+01 volume 8.32540 ppm1 1.951 ppm2 3.321
ASSI { 16012}
  (( segid "PROT" and resid 20  and name HG1  ))
  (( segid "PROT" and resid 20  and name HD2  ))
     6 6 0 peak 16012 weight  0.1000E+01 volume 6.48060 ppm1 2.127 ppm2 3.329
ASSI { 16022}
  (( segid "PROT" and resid 19  and name HB1  ))
  (( segid "PROT" and resid 20  and name HD2  ))
     6 6 0 peak 16022 weight  0.1000E+01 volume 5.39760 ppm1 2.218 ppm2 3.327
ASSI { 16032}
  (( segid "PROT" and resid 19  and name HB1  ))
  (( segid "PROT" and resid 20  and name HD1  ))
     6 6 0 peak 16032 weight  0.1000E+01 volume 5.24990 ppm1 2.222 ppm2 3.621
ASSI { 16042}
  (( segid "PROT" and resid 20  and name HG1  ))
  (( segid "PROT" and resid 20  and name HD1  ))
     6 6 0 peak 16042 weight  0.1000E+01 volume 3.94890 ppm1 2.129 ppm2 3.625
ASSI { 16052}
  (( segid "PROT" and resid 20  and name HG2  ))
  (( segid "PROT" and resid 20  and name HD1  ))
     6 6 0 peak 16052 weight  0.1000E+01 volume 12.49390 ppm1 1.958 ppm2 3.629
ASSI { 16062}
  (( segid "PROT" and resid 20  and name HD2  ))
  (( segid "PROT" and resid 19  and name HB1  ))
     6 6 0 peak 16062 weight  0.1000E+01 volume 7.46010 ppm1 3.339 ppm2 2.189
ASSI { 16072}
  (( segid "PROT" and resid 30  and name HA  ))
  (( segid "PROT" and resid 30  and name HB1  ))
     6 6 0 peak 16072 weight  0.1000E+01 volume 4.80020 ppm1 5.041 ppm2 2.107
ASSI { 16082}
  (( segid "PROT" and resid 30  and name HD1  ))
  (( segid "PROT" and resid 30  and name HB1  ))
     6 6 0 peak 16082 weight  0.1000E+01 volume 5.84970 ppm1 3.353 ppm2 2.110
ASSI { 16092}
  (( segid "PROT" and resid 33  and name HD1#  ))
  (( segid "PROT" and resid 30  and name HB1  ))
     6 6 0 peak 16092 weight  0.1000E+01 volume 1.25240 ppm1 0.966 ppm2 2.103
ASSI { 16102}
  (( segid "PROT" and resid 30  and name HG2  ))
  (( segid "PROT" and resid 30  and name HB1  ))
     6 6 0 peak 16102 weight  0.1000E+01 volume 3.72920 ppm1 1.087 ppm2 2.109
ASSI { 16112}
  (( segid "PROT" and resid 30  and name HD1  ))
  (( segid "PROT" and resid 30  and name HG1  ))
     6 6 0 peak 16112 weight  0.1000E+01 volume 4.54450 ppm1 3.353 ppm2 1.935
ASSI { 16122}
  (( segid "PROT" and resid 30  and name HD1  ))
  (( segid "PROT" and resid 30  and name HG2  ))
     6 6 0 peak 16122 weight  0.1000E+01 volume 4.48880 ppm1 3.359 ppm2 1.101
ASSI { 16132}
  (( segid "PROT" and resid 30  and name HG2  ))
  (( segid "PROT" and resid 30  and name HG1  ))
     6 6 0 peak 16132 weight  0.1000E+01 volume 4.63600 ppm1 1.090 ppm2 1.921
ASSI { 16142}
  (( segid "PROT" and resid 30  and name HB1  ))
  (( segid "PROT" and resid 30  and name HG1  ))
     6 6 0 peak 16142 weight  0.1000E+01 volume 2.41350 ppm1 2.118 ppm2 1.913
ASSI { 16152}
  (( segid "PROT" and resid 30  and name HG1  ))
  (( segid "PROT" and resid 30  and name HA  ))
     6 6 0 peak 16152 weight  0.1000E+01 volume 1.11330 ppm1 1.935 ppm2 5.035
ASSI { 16162}
  (( segid "PROT" and resid 33  and name HD2#  ))
  (( segid "PROT" and resid 30  and name HA  ))
     6 6 0 peak 16162 weight  0.1000E+01 volume 0.77360 ppm1 0.828 ppm2 5.034
ASSI { 16172}
  (( segid "PROT" and resid 74  and name HG2  ))
  (( segid "PROT" and resid 74  and name HD2  ))
     6 6 0 peak 16172 weight  0.1000E+01 volume 5.88790 ppm1 1.403 ppm2 2.752
ASSI { 16182}
  (( segid "PROT" and resid 74  and name HB1  ))
  (( segid "PROT" and resid 74  and name HD2  ))
     6 6 0 peak 16182 weight  0.1000E+01 volume 9.21050 ppm1 1.782 ppm2 2.752
ASSI { 16202}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 74  and name HD2  ))
     6 6 0 peak 16202 weight  0.1000E+01 volume 3.35460 ppm1 0.269 ppm2 2.754
ASSI { 16212}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 74  and name HD2  ))
     6 6 0 peak 16212 weight  0.1000E+01 volume 1.64530 ppm1 0.354 ppm2 2.758
ASSI { 16222}
  (( segid "PROT" and resid 74  and name HD1  ))
  (( segid "PROT" and resid 74  and name HD2  ))
     6 6 0 peak 16222 weight  0.1000E+01 volume 7.99660 ppm1 3.756 ppm2 2.760
ASSI { 16232}
  (( segid "PROT" and resid 73  and name HA  ))
  (( segid "PROT" and resid 74  and name HD2  ))
     6 6 0 peak 16232 weight  0.1000E+01 volume 5.61980 ppm1 4.617 ppm2 2.754
ASSI { 16242}
  (( segid "PROT" and resid 73  and name HA  ))
  (( segid "PROT" and resid 74  and name HD1  ))
     6 6 0 peak 16242 weight  0.1000E+01 volume 4.49700 ppm1 4.618 ppm2 3.752
ASSI { 16252}
  (( segid "PROT" and resid 115  and name HB2  ))
  (( segid "PROT" and resid 115  and name HD2  ))
     6 6 0 peak 16252 weight  0.1000E+01 volume 6.37780 ppm1 1.862 ppm2 3.511
ASSI { 16262}
  (( segid "PROT" and resid 74  and name HB1  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 16262 weight  0.1000E+01 volume 8.38330 ppm1 1.851 ppm2 3.759
ASSI { 16272}
  (( segid "PROT" and resid 74  and name HG2  ))
  (( segid "PROT" and resid 74  and name HD1  ))
     6 6 0 peak 16272 weight  0.1000E+01 volume 2.44050 ppm1 1.409 ppm2 3.749
ASSI { 16282}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 74  and name HD1  ))
     6 6 0 peak 16282 weight  0.1000E+01 volume 0.93320 ppm1 0.358 ppm2 3.753
ASSI { 16292}
  (( segid "PROT" and resid 30  and name HG2  ))
  (( segid "PROT" and resid 30  and name HD1  ))
     6 6 0 peak 16292 weight  0.1000E+01 volume 6.45090 ppm1 1.093 ppm2 3.346
ASSI { 16302}
  (( segid "PROT" and resid 30  and name HG1  ))
  (( segid "PROT" and resid 30  and name HD1  ))
     6 6 0 peak 16302 weight  0.1000E+01 volume 5.21410 ppm1 1.925 ppm2 3.342
ASSI { 16312}
  (( segid "PROT" and resid 30  and name HB1  ))
  (( segid "PROT" and resid 30  and name HD1  ))
     6 6 0 peak 16312 weight  0.1000E+01 volume 4.12720 ppm1 2.118 ppm2 3.342
ASSI { 16322}
  (( segid "PROT" and resid 33  and name HD2#  ))
  (( segid "PROT" and resid 36  and name HD1  ))
     6 6 0 peak 16322 weight  0.1000E+01 volume 4.09370 ppm1 0.828 ppm2 3.198
ASSI { 16332}
  (( segid "PROT" and resid 33  and name HD2#  ))
  (( segid "PROT" and resid 36  and name HD2  ))
     6 6 0 peak 16332 weight  0.1000E+01 volume 6.73960 ppm1 0.824 ppm2 3.051
ASSI { 16342}
  (( segid "PROT" and resid 36  and name HG2  ))
  (( segid "PROT" and resid 36  and name HD2  ))
     6 6 0 peak 16342 weight  0.1000E+01 volume 5.19840 ppm1 1.331 ppm2 3.043
ASSI { 16352}
  (( segid "PROT" and resid 36  and name HG2  ))
  (( segid "PROT" and resid 36  and name HD1  ))
     6 6 0 peak 16352 weight  0.1000E+01 volume 7.52380 ppm1 1.326 ppm2 3.192
ASSI { 16362}
  (( segid "PROT" and resid 36  and name HG1  ))
  (( segid "PROT" and resid 36  and name HD2  ))
     6 6 0 peak 16362 weight  0.1000E+01 volume 13.71250 ppm1 2.162 ppm2 3.045
ASSI { 16372}
  (( segid "PROT" and resid 36  and name HG1  ))
  (( segid "PROT" and resid 36  and name HD1  ))
     6 6 0 peak 16372 weight  0.1000E+01 volume 10.47830 ppm1 2.163 ppm2 3.184
ASSI { 16382}
  (( segid "PROT" and resid 36  and name HA  ))
  (( segid "PROT" and resid 36  and name HD2  ))
     6 6 0 peak 16382 weight  0.1000E+01 volume 11.57690 ppm1 3.926 ppm2 3.047
ASSI { 16392}
  (( segid "PROT" and resid 36  and name HA  ))
  (( segid "PROT" and resid 36  and name HD1  ))
     6 6 0 peak 16392 weight  0.1000E+01 volume 7.55160 ppm1 3.929 ppm2 3.186
ASSI { 16402}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 36  and name HD1  ))
     6 6 0 peak 16402 weight  0.1000E+01 volume 3.80130 ppm1 6.609 ppm2 3.196
ASSI { 16412}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 36  and name HD2  ))
     6 6 0 peak 16412 weight  0.1000E+01 volume 2.14990 ppm1 6.609 ppm2 3.055
ASSI { 16422}
  (( segid "PROT" and resid 56  and name HB1  ))
  (( segid "PROT" and resid 56  and name HA  ))
     6 6 0 peak 16422 weight  0.1000E+01 volume 14.82330 ppm1 2.442 ppm2 4.137
ASSI { 16432}
  (( segid "PROT" and resid 38  and name HB1  ))
  (( segid "PROT" and resid 38  and name HA  ))
     6 6 0 peak 16432 weight  0.1000E+01 volume 9.90200 ppm1 2.287 ppm2 4.136
ASSI { 16442}
  (( segid "PROT" and resid 38  and name HB2  ))
  (( segid "PROT" and resid 38  and name HA  ))
     6 6 0 peak 16442 weight  0.1000E+01 volume 11.10740 ppm1 1.646 ppm2 4.138
ASSI { 16452}
  (( segid "PROT" and resid 56  and name HD2  ))
  (( segid "PROT" and resid 56  and name HB1  ))
     6 6 0 peak 16452 weight  0.1000E+01 volume 1.35720 ppm1 3.444 ppm2 2.433
ASSI { 16462}
  (( segid "PROT" and resid 56  and name HA  ))
  (( segid "PROT" and resid 56  and name HB1  ))
     6 6 0 peak 16462 weight  0.1000E+01 volume 9.14060 ppm1 4.129 ppm2 2.438
ASSI { 16472}
  (( segid "PROT" and resid 50  and name HE1  ))
  (( segid "PROT" and resid 56  and name HB1  ))
     6 6 0 peak 16472 weight  0.1000E+01 volume 6.23850 ppm1 7.399 ppm2 2.434
ASSI { 16482}
  (( segid "PROT" and resid 56  and name HB2  ))
  (( segid "PROT" and resid 56  and name HB1  ))
     6 6 0 peak 16482 weight  0.1000E+01 volume 36.27780 ppm1 2.142 ppm2 2.438
ASSI { 16492}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 56  and name HB2  ))
     6 6 0 peak 16492 weight  0.1000E+01 volume 2.62390 ppm1 0.607 ppm2 2.139
ASSI { 16502}
  (( segid "PROT" and resid 56  and name HD1  ))
  (( segid "PROT" and resid 56  and name HG1  ))
     6 6 0 peak 16502 weight  0.1000E+01 volume 13.05560 ppm1 3.692 ppm2 2.136
ASSI { 16512}
  (( segid "PROT" and resid 56  and name HA  ))
  (( segid "PROT" and resid 56  and name HG1  ))
     6 6 0 peak 16512 weight  0.1000E+01 volume 10.23800 ppm1 4.126 ppm2 2.134
ASSI { 16522}
  (( segid "PROT" and resid 56  and name HB1  ))
  (( segid "PROT" and resid 56  and name HG1  ))
     6 6 0 peak 16522 weight  0.1000E+01 volume 18.30460 ppm1 2.435 ppm2 2.150
ASSI { 16532}
  (( segid "PROT" and resid 56  and name HB1  ))
  (( segid "PROT" and resid 56  and name HG2  ))
     6 6 0 peak 16532 weight  0.1000E+01 volume 8.16230 ppm1 2.435 ppm2 1.970
ASSI { 16542}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 56  and name HG1  ))
     6 6 0 peak 16542 weight  0.1000E+01 volume 3.21790 ppm1 0.605 ppm2 2.128
ASSI { 16552}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 56  and name HG2  ))
     6 6 0 peak 16552 weight  0.1000E+01 volume 7.56960 ppm1 0.612 ppm2 1.977
ASSI { 16562}
  (( segid "PROT" and resid 56  and name HA  ))
  (( segid "PROT" and resid 56  and name HD1  ))
     6 6 0 peak 16562 weight  0.1000E+01 volume 1.29370 ppm1 4.125 ppm2 3.696
ASSI { 16572}
  (( segid "PROT" and resid 56  and name HB1  ))
  (( segid "PROT" and resid 56  and name HD1  ))
     6 6 0 peak 16572 weight  0.1000E+01 volume 2.82740 ppm1 2.440 ppm2 3.701
ASSI { 16582}
  (( segid "PROT" and resid 38  and name HD2  ))
  (( segid "PROT" and resid 37  and name HA  ))
     6 6 0 peak 16582 weight  0.1000E+01 volume 6.67710 ppm1 3.463 ppm2 4.918
ASSI { 16592}
  (( segid "PROT" and resid 38  and name HD1  ))
  (( segid "PROT" and resid 37  and name HA  ))
     6 6 0 peak 16592 weight  0.1000E+01 volume 10.47530 ppm1 3.692 ppm2 4.912
ASSI { 16602}
  (( segid "PROT" and resid 37  and name HB1  ))
  (( segid "PROT" and resid 37  and name HA  ))
     6 6 0 peak 16602 weight  0.1000E+01 volume 2.76060 ppm1 2.248 ppm2 4.922
ASSI { 16612}
  (( segid "PROT" and resid 58  and name HB2  ))
  (( segid "PROT" and resid 58  and name HA  ))
     6 6 0 peak 16612 weight  0.1000E+01 volume 3.26540 ppm1 2.294 ppm2 4.861
ASSI { 16622}
  (( segid "PROT" and resid 37  and name HG2  ))
  (( segid "PROT" and resid 37  and name HA  ))
     6 6 0 peak 16622 weight  0.1000E+01 volume 5.14380 ppm1 2.171 ppm2 4.921
ASSI { 16632}
  (( segid "PROT" and resid 38  and name HG1  ))
  (( segid "PROT" and resid 37  and name HA  ))
     6 6 0 peak 16632 weight  0.1000E+01 volume 2.11280 ppm1 1.955 ppm2 4.921
ASSI { 16642}
  (( segid "PROT" and resid 37  and name HB2  ))
  (( segid "PROT" and resid 37  and name HA  ))
     6 6 0 peak 16642 weight  0.1000E+01 volume 4.35230 ppm1 1.777 ppm2 4.916
ASSI { 16652}
  (( segid "PROT" and resid 74  and name HD1  ))
  (( segid "PROT" and resid 73  and name HA  ))
     6 6 0 peak 16652 weight  0.1000E+01 volume 2.38830 ppm1 3.762 ppm2 4.616
ASSI { 16662}
  (( segid "PROT" and resid 73  and name HB1  ))
  (( segid "PROT" and resid 73  and name HA  ))
     6 6 0 peak 16662 weight  0.1000E+01 volume 1.91720 ppm1 2.187 ppm2 4.613
ASSI { 16672}
  (( segid "PROT" and resid 74  and name HG1  ))
  (( segid "PROT" and resid 73  and name HA  ))
     6 6 0 peak 16672 weight  0.1000E+01 volume 2.45760 ppm1 1.790 ppm2 4.615
ASSI { 16682}
  (( segid "PROT" and resid 73  and name HB2  ))
  (( segid "PROT" and resid 73  and name HA  ))
     6 6 0 peak 16682 weight  0.1000E+01 volume 1.93650 ppm1 1.528 ppm2 4.616
ASSI { 16692}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 73  and name HA  ))
     6 6 0 peak 16692 weight  0.1000E+01 volume 1.31520 ppm1 0.353 ppm2 4.615
ASSI { 16702}
  (( segid "PROT" and resid 32  and name HB2  ))
  (( segid "PROT" and resid 32  and name HB1  ))
     6 6 0 peak 16702 weight  0.1000E+01 volume 9.41770 ppm1 3.664 ppm2 4.389
ASSI { 16712}
  (( segid "PROT" and resid 32  and name HB1  ))
  (( segid "PROT" and resid 32  and name HB2  ))
     6 6 0 peak 16712 weight  0.1000E+01 volume 17.04300 ppm1 4.375 ppm2 3.662
ASSI { 16722}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 74  and name HB1  ))
     6 6 0 peak 16722 weight  0.1000E+01 volume 3.50330 ppm1 0.504 ppm2 1.787
ASSI { 16732}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 74  and name HB1  ))
     6 6 0 peak 16732 weight  0.1000E+01 volume 5.18340 ppm1 0.611 ppm2 1.784
ASSI { 16742}
  (( segid "PROT" and resid 74  and name HG2  ))
  (( segid "PROT" and resid 74  and name HB1  ))
     6 6 0 peak 16742 weight  0.1000E+01 volume 9.20440 ppm1 1.404 ppm2 1.813
ASSI { 16752}
  (( segid "PROT" and resid 74  and name HA  ))
  (( segid "PROT" and resid 74  and name HB1  ))
     6 6 0 peak 16752 weight  0.1000E+01 volume 17.12010 ppm1 3.774 ppm2 1.781
ASSI { 16762}
  (( segid "PROT" and resid 73  and name HA  ))
  (( segid "PROT" and resid 74  and name HG1  ))
     6 6 0 peak 16762 weight  0.1000E+01 volume 2.64450 ppm1 4.620 ppm2 1.794
ASSI { 16772}
  (( segid "PROT" and resid 73  and name HA  ))
  (( segid "PROT" and resid 74  and name HG2  ))
     6 6 0 peak 16772 weight  0.1000E+01 volume 1.07560 ppm1 4.627 ppm2 1.410
ASSI { 16782}
  (( segid "PROT" and resid 74  and name HG2  ))
  (( segid "PROT" and resid 74  and name HG1  ))
     6 6 0 peak 16782 weight  0.1000E+01 volume 14.40480 ppm1 1.408 ppm2 1.782
ASSI { 16792}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 74  and name HG1  ))
     6 6 0 peak 16792 weight  0.1000E+01 volume 2.72080 ppm1 0.356 ppm2 1.782
ASSI { 16802}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 74  and name HG1  ))
     6 6 0 peak 16802 weight  0.1000E+01 volume 4.91690 ppm1 0.265 ppm2 1.781
ASSI { 16812}
  (( segid "PROT" and resid 118  and name HB1  ))
  (( segid "PROT" and resid 115  and name HA  ))
     6 6 0 peak 16812 weight  0.1000E+01 volume 9.89130 ppm1 2.169 ppm2 4.268
ASSI { 16822}
  (( segid "PROT" and resid 115  and name HB2  ))
  (( segid "PROT" and resid 115  and name HA  ))
     6 6 0 peak 16822 weight  0.1000E+01 volume 16.17580 ppm1 1.856 ppm2 4.263
ASSI { 16832}
  (( segid "PROT" and resid 115  and name HG1  ))
  (( segid "PROT" and resid 115  and name HB2  ))
     6 6 0 peak 16832 weight  0.1000E+01 volume 59.42840 ppm1 2.044 ppm2 1.857
ASSI { 16842}
  (( segid "PROT" and resid 41  and name HB1  ))
  (( segid "PROT" and resid 41  and name HA  ))
     6 6 0 peak 16842 weight  0.1000E+01 volume 9.19640 ppm1 2.313 ppm2 3.617
ASSI { 16852}
  (( segid "PROT" and resid 41  and name HG1  ))
  (( segid "PROT" and resid 41  and name HA  ))
     6 6 0 peak 16852 weight  0.1000E+01 volume 5.84680 ppm1 1.581 ppm2 3.615
ASSI { 16862}
  (( segid "PROT" and resid 44  and name HD1#  ))
  (( segid "PROT" and resid 41  and name HA  ))
     6 6 0 peak 16862 weight  0.1000E+01 volume 2.71840 ppm1 0.748 ppm2 3.617
ASSI { 16872}
  (( segid "PROT" and resid 84  and name HA  ))
  (( segid "PROT" and resid 84  and name HG1  ))
     6 6 0 peak 16872 weight  0.1000E+01 volume 2.41120 ppm1 3.650 ppm2 2.576
ASSI { 16882}
  (( segid "PROT" and resid 84  and name HA  ))
  (( segid "PROT" and resid 84  and name HG2  ))
     6 6 0 peak 16882 weight  0.1000E+01 volume 0.52020 ppm1 3.644 ppm2 1.822
ASSI { 16892}
  (( segid "PROT" and resid 84  and name HG2  ))
  (( segid "PROT" and resid 84  and name HG1  ))
     6 6 0 peak 16892 weight  0.1000E+01 volume 5.18220 ppm1 1.833 ppm2 2.576
ASSI { 16902}
  (( segid "PROT" and resid 84  and name HE#  ))
  (( segid "PROT" and resid 84  and name HG1  ))
     6 6 0 peak 16902 weight  0.1000E+01 volume 2.73720 ppm1 1.247 ppm2 2.576
ASSI { 16912}
  (( segid "PROT" and resid 46  and name HA  ))
  (( segid "PROT" and resid 47  and name HD1  ))
     6 6 0 peak 16912 weight  0.1000E+01 volume 4.77650 ppm1 4.878 ppm2 3.729
ASSI { 16922}
  (( segid "PROT" and resid 46  and name HA  ))
  (( segid "PROT" and resid 47  and name HD2  ))
     6 6 0 peak 16922 weight  0.1000E+01 volume 5.04890 ppm1 4.875 ppm2 3.279
ASSI { 16932}
  (( segid "PROT" and resid 47  and name HD2  ))
  (( segid "PROT" and resid 47  and name HD1  ))
     6 6 0 peak 16932 weight  0.1000E+01 volume 9.71400 ppm1 3.277 ppm2 3.727
ASSI { 16942}
  (( segid "PROT" and resid 47  and name HD1  ))
  (( segid "PROT" and resid 47  and name HD2  ))
     6 6 0 peak 16942 weight  0.1000E+01 volume 6.26980 ppm1 3.739 ppm2 3.278
ASSI { 16952}
  (( segid "PROT" and resid 47  and name HD1  ))
  (( segid "PROT" and resid 47  and name HG1  ))
     6 6 0 peak 16952 weight  0.1000E+01 volume 7.39320 ppm1 3.721 ppm2 1.930
ASSI { 16962}
  (( segid "PROT" and resid 47  and name HD2  ))
  (( segid "PROT" and resid 47  and name HG1  ))
     6 6 0 peak 16962 weight  0.1000E+01 volume 10.90380 ppm1 3.280 ppm2 1.928
ASSI { 16972}
  (( segid "PROT" and resid 47  and name HB1  ))
  (( segid "PROT" and resid 47  and name HG1  ))
     6 6 0 peak 16972 weight  0.1000E+01 volume 20.93210 ppm1 2.211 ppm2 1.910
ASSI { 16982}
  (( segid "PROT" and resid 46  and name HA  ))
  (( segid "PROT" and resid 47  and name HG1  ))
     6 6 0 peak 16982 weight  0.1000E+01 volume 1.94800 ppm1 4.883 ppm2 1.926
ASSI { 16992}
  (( segid "PROT" and resid 47  and name HA  ))
  (( segid "PROT" and resid 47  and name HG1  ))
     6 6 0 peak 16992 weight  0.1000E+01 volume 1.97350 ppm1 4.062 ppm2 1.925
ASSI { 17002}
  (( segid "PROT" and resid 41  and name HG2  ))
  (( segid "PROT" and resid 41  and name HA  ))
     6 6 0 peak 17002 weight  0.1000E+01 volume 1.48170 ppm1 1.096 ppm2 3.617
ASSI { 17012}
  (( segid "PROT" and resid 41  and name HB2  ))
  (( segid "PROT" and resid 41  and name HA  ))
     6 6 0 peak 17012 weight  0.1000E+01 volume 3.91010 ppm1 1.728 ppm2 3.615
ASSI { 17022}
  (( segid "PROT" and resid 47  and name HA  ))
  (( segid "PROT" and resid 47  and name HB1  ))
     6 6 0 peak 17022 weight  0.1000E+01 volume 6.07040 ppm1 4.060 ppm2 2.198
ASSI { 17032}
  (( segid "PROT" and resid 47  and name HD2  ))
  (( segid "PROT" and resid 47  and name HA  ))
     6 6 0 peak 17032 weight  0.1000E+01 volume 1.05340 ppm1 3.279 ppm2 4.057
ASSI { 17042}
  (( segid "PROT" and resid 47  and name HD1  ))
  (( segid "PROT" and resid 47  and name HA  ))
     6 6 0 peak 17042 weight  0.1000E+01 volume 1.70100 ppm1 3.733 ppm2 4.051
ASSI { 17052}
  (( segid "PROT" and resid 47  and name HD2  ))
  (( segid "PROT" and resid 47  and name HB1  ))
     6 6 0 peak 17052 weight  0.1000E+01 volume 1.21460 ppm1 3.273 ppm2 2.220
ASSI { 17062}
  (( segid "PROT" and resid 47  and name HD2  ))
  (( segid "PROT" and resid 47  and name HB2  ))
     6 6 0 peak 17062 weight  0.1000E+01 volume 1.23610 ppm1 3.279 ppm2 2.029
ASSI { 17072}
  (( segid "PROT" and resid 74  and name HD1  ))
  (( segid "PROT" and resid 73  and name HB1  ))
     6 6 0 peak 17072 weight  0.1000E+01 volume 5.72490 ppm1 3.750 ppm2 2.187
ASSI { 17082}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 56  and name HA  ))
     6 6 0 peak 17082 weight  0.1000E+01 volume 1.52390 ppm1 6.149 ppm2 4.131
ASSI { 17092}
  (( segid "PROT" and resid 41  and name HG2  ))
  (( segid "PROT" and resid 41  and name HD1  ))
     6 6 0 peak 17092 weight  0.1000E+01 volume 3.89150 ppm1 1.093 ppm2 3.775
ASSI { 17102}
  (( segid "PROT" and resid 41  and name HB2  ))
  (( segid "PROT" and resid 41  and name HD1  ))
     6 6 0 peak 17102 weight  0.1000E+01 volume 3.64640 ppm1 1.738 ppm2 3.776
ASSI { 17112}
  (( segid "PROT" and resid 41  and name HB1  ))
  (( segid "PROT" and resid 41  and name HD1  ))
     6 6 0 peak 17112 weight  0.1000E+01 volume 1.80510 ppm1 2.376 ppm2 3.777
ASSI { 17122}
  (( segid "PROT" and resid 40  and name HA  ))
  (( segid "PROT" and resid 41  and name HG1  ))
     6 6 0 peak 17122 weight  0.1000E+01 volume 2.57710 ppm1 5.086 ppm2 1.571
ASSI { 17132}
  (( segid "PROT" and resid 40  and name HA  ))
  (( segid "PROT" and resid 41  and name HG2  ))
     6 6 0 peak 17132 weight  0.1000E+01 volume 1.89500 ppm1 5.086 ppm2 1.092
ASSI { 17142}
  (( segid "PROT" and resid 50  and name HD1  ))
  (( segid "PROT" and resid 41  and name HG2  ))
     6 6 0 peak 17142 weight  0.1000E+01 volume 3.98000 ppm1 7.401 ppm2 1.094
ASSI { 17152}
  (( segid "PROT" and resid 50  and name HD1  ))
  (( segid "PROT" and resid 41  and name HG1  ))
     6 6 0 peak 17152 weight  0.1000E+01 volume 4.74140 ppm1 7.405 ppm2 1.583
ASSI { 17162}
  (( segid "PROT" and resid 41  and name HD1  ))
  (( segid "PROT" and resid 41  and name HG2  ))
     6 6 0 peak 17162 weight  0.1000E+01 volume 4.16480 ppm1 3.794 ppm2 1.090
ASSI { 17172}
  (( segid "PROT" and resid 41  and name HD2  ))
  (( segid "PROT" and resid 41  and name HG2  ))
     6 6 0 peak 17172 weight  0.1000E+01 volume 5.28190 ppm1 3.738 ppm2 1.094
ASSI { 17182}
  (( segid "PROT" and resid 41  and name HA  ))
  (( segid "PROT" and resid 41  and name HG2  ))
     6 6 0 peak 17182 weight  0.1000E+01 volume 5.31370 ppm1 3.607 ppm2 1.096
ASSI { 17192}
  (( segid "PROT" and resid 41  and name HD1  ))
  (( segid "PROT" and resid 41  and name HG1  ))
     6 6 0 peak 17192 weight  0.1000E+01 volume 6.90500 ppm1 3.794 ppm2 1.573
ASSI { 17202}
  (( segid "PROT" and resid 41  and name HD2  ))
  (( segid "PROT" and resid 41  and name HG1  ))
     6 6 0 peak 17202 weight  0.1000E+01 volume 1.89620 ppm1 3.732 ppm2 1.576
ASSI { 17212}
  (( segid "PROT" and resid 41  and name HA  ))
  (( segid "PROT" and resid 41  and name HG1  ))
     6 6 0 peak 17212 weight  0.1000E+01 volume 10.38410 ppm1 3.660 ppm2 1.567
ASSI { 17222}
  (( segid "PROT" and resid 41  and name HB2  ))
  (( segid "PROT" and resid 41  and name HG2  ))
     6 6 0 peak 17222 weight  0.1000E+01 volume 11.06060 ppm1 1.729 ppm2 1.100
ASSI { 17232}
  (( segid "PROT" and resid 41  and name HB1  ))
  (( segid "PROT" and resid 41  and name HG2  ))
     6 6 0 peak 17232 weight  0.1000E+01 volume 6.59890 ppm1 2.314 ppm2 1.090
ASSI { 17242}
  (( segid "PROT" and resid 41  and name HB1  ))
  (( segid "PROT" and resid 41  and name HG1  ))
     6 6 0 peak 17242 weight  0.1000E+01 volume 9.82510 ppm1 2.317 ppm2 1.579
ASSI { 17252}
  (( segid "PROT" and resid 104  and name HB2  ))
  (( segid "PROT" and resid 104  and name HD2  ))
     6 6 0 peak 17252 weight  0.1000E+01 volume 56.29830 ppm1 2.011 ppm2 1.640
ASSI { 17262}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 41  and name HG2  ))
     6 6 0 peak 17262 weight  0.1000E+01 volume 5.45420 ppm1 -0.367 ppm2 1.094
ASSI { 17272}
  (( segid "PROT" and resid 37  and name HA  ))
  (( segid "PROT" and resid 37  and name HG1  ))
     6 6 0 peak 17272 weight  0.1000E+01 volume 4.06570 ppm1 4.922 ppm2 2.244
ASSI { 17282}
  (( segid "PROT" and resid 37  and name HA  ))
  (( segid "PROT" and resid 37  and name HG2  ))
     6 6 0 peak 17282 weight  0.1000E+01 volume 5.39540 ppm1 4.919 ppm2 2.129
ASSI { 17292}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 41  and name HB2  ))
     6 6 0 peak 17292 weight  0.1000E+01 volume 1.37820 ppm1 -0.367 ppm2 1.730
ASSI { 17302}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 41  and name HB1  ))
     6 6 0 peak 17302 weight  0.1000E+01 volume 1.23640 ppm1 -0.369 ppm2 2.310
ASSI { 17312}
  (( segid "PROT" and resid 41  and name HG2  ))
  (( segid "PROT" and resid 41  and name HB1  ))
     6 6 0 peak 17312 weight  0.1000E+01 volume 3.83360 ppm1 1.094 ppm2 2.310
ASSI { 17322}
  (( segid "PROT" and resid 41  and name HG1  ))
  (( segid "PROT" and resid 41  and name HB1  ))
     6 6 0 peak 17322 weight  0.1000E+01 volume 4.65300 ppm1 1.580 ppm2 2.316
ASSI { 17332}
  (( segid "PROT" and resid 41  and name HB2  ))
  (( segid "PROT" and resid 41  and name HB1  ))
     6 6 0 peak 17332 weight  0.1000E+01 volume 11.12780 ppm1 1.730 ppm2 2.314
ASSI { 17342}
  (( segid "PROT" and resid 41  and name HB1  ))
  (( segid "PROT" and resid 41  and name HB2  ))
     6 6 0 peak 17342 weight  0.1000E+01 volume 18.49560 ppm1 2.314 ppm2 1.736
ASSI { 17352}
  (( segid "PROT" and resid 41  and name HA  ))
  (( segid "PROT" and resid 41  and name HB2  ))
     6 6 0 peak 17352 weight  0.1000E+01 volume 5.05100 ppm1 3.615 ppm2 1.730
ASSI { 17362}
  (( segid "PROT" and resid 41  and name HA  ))
  (( segid "PROT" and resid 41  and name HB1  ))
     6 6 0 peak 17362 weight  0.1000E+01 volume 10.29990 ppm1 3.619 ppm2 2.314
ASSI { 17372}
  (( segid "PROT" and resid 41  and name HD1  ))
  (( segid "PROT" and resid 41  and name HB2  ))
     6 6 0 peak 17372 weight  0.1000E+01 volume 2.06170 ppm1 3.790 ppm2 1.732
ASSI { 17382}
  (( segid "PROT" and resid 41  and name HD1  ))
  (( segid "PROT" and resid 41  and name HB1  ))
     6 6 0 peak 17382 weight  0.1000E+01 volume 1.35260 ppm1 3.798 ppm2 2.308
ASSI { 17392}
  (( segid "PROT" and resid 47  and name HA  ))
  (( segid "PROT" and resid 41  and name HB2  ))
     6 6 0 peak 17392 weight  0.1000E+01 volume 4.77730 ppm1 4.057 ppm2 1.731
ASSI { 17402}
  (( segid "PROT" and resid 47  and name HA  ))
  (( segid "PROT" and resid 41  and name HB1  ))
     6 6 0 peak 17402 weight  0.1000E+01 volume 5.26670 ppm1 4.061 ppm2 2.318
ASSI { 17412}
  (( segid "PROT" and resid 41  and name HG2  ))
  (( segid "PROT" and resid 41  and name HB2  ))
     6 6 0 peak 17412 weight  0.1000E+01 volume 5.60800 ppm1 1.094 ppm2 1.722
ASSI { 17422}
  (( segid "PROT" and resid 34  and name HB1  ))
  (( segid "PROT" and resid 34  and name HA  ))
     6 6 0 peak 17422 weight  0.1000E+01 volume 12.27610 ppm1 2.100 ppm2 4.354
ASSI { 17432}
  (( segid "PROT" and resid 34  and name HG1  ))
  (( segid "PROT" and resid 34  and name HA  ))
     6 6 0 peak 17432 weight  0.1000E+01 volume 6.16710 ppm1 1.966 ppm2 4.359
ASSI { 17442}
  (( segid "PROT" and resid 34  and name HB2  ))
  (( segid "PROT" and resid 34  and name HA  ))
     6 6 0 peak 17442 weight  0.1000E+01 volume 17.09060 ppm1 0.607 ppm2 4.356
ASSI { 17452}
  (( segid "PROT" and resid 36  and name HB2  ))
  (( segid "PROT" and resid 36  and name HD1  ))
     6 6 0 peak 17452 weight  0.1000E+01 volume 8.90570 ppm1 1.895 ppm2 3.187
ASSI { 17462}
  (( segid "PROT" and resid 36  and name HB2  ))
  (( segid "PROT" and resid 36  and name HD2  ))
     6 6 0 peak 17462 weight  0.1000E+01 volume 7.50990 ppm1 1.898 ppm2 3.055
ASSI { 17472}
  (( segid "PROT" and resid 27  and name HG1  ))
  (( segid "PROT" and resid 27  and name HD1  ))
     6 6 0 peak 17472 weight  0.1000E+01 volume 56.64050 ppm1 1.692 ppm2 3.172
ASSI { 17482}
  (( segid "PROT" and resid 36  and name HD2  ))
  (( segid "PROT" and resid 36  and name HG2  ))
     6 6 0 peak 17482 weight  0.1000E+01 volume 2.36150 ppm1 3.049 ppm2 1.325
ASSI { 17492}
  (( segid "PROT" and resid 36  and name HD1  ))
  (( segid "PROT" and resid 36  and name HG2  ))
     6 6 0 peak 17492 weight  0.1000E+01 volume 2.16130 ppm1 3.203 ppm2 1.317
ASSI { 17502}
  (( segid "PROT" and resid 36  and name HA  ))
  (( segid "PROT" and resid 36  and name HG2  ))
     6 6 0 peak 17502 weight  0.1000E+01 volume 6.36130 ppm1 3.931 ppm2 1.313
ASSI { 17512}
  (( segid "PROT" and resid 36  and name HD2  ))
  (( segid "PROT" and resid 36  and name HG1  ))
     6 6 0 peak 17512 weight  0.1000E+01 volume 0.80000 ppm1 3.053 ppm2 2.191
ASSI { 17522}
  (( segid "PROT" and resid 36  and name HD1  ))
  (( segid "PROT" and resid 36  and name HG1  ))
     6 6 0 peak 17522 weight  0.1000E+01 volume 1.62010 ppm1 3.208 ppm2 2.193
ASSI { 17532}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 36  and name HG2  ))
     6 6 0 peak 17532 weight  0.1000E+01 volume 2.30670 ppm1 6.607 ppm2 1.329
ASSI { 17542}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 36  and name HG1  ))
     6 6 0 peak 17542 weight  0.1000E+01 volume 2.32450 ppm1 6.606 ppm2 2.189
ASSI { 17552}
  (( segid "PROT" and resid 36  and name HG2  ))
  (( segid "PROT" and resid 36  and name HG1  ))
     6 6 0 peak 17552 weight  0.1000E+01 volume 5.87220 ppm1 1.326 ppm2 2.173
ASSI { 17562}
  (( segid "PROT" and resid 36  and name HG1  ))
  (( segid "PROT" and resid 36  and name HG2  ))
     6 6 0 peak 17562 weight  0.1000E+01 volume 16.35440 ppm1 2.178 ppm2 1.332
ASSI { 17572}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 36  and name HG2  ))
     6 6 0 peak 17572 weight  0.1000E+01 volume 2.40330 ppm1 0.236 ppm2 1.325
ASSI { 17582}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 36  and name HB1  ))
     6 6 0 peak 17582 weight  0.1000E+01 volume 1.13810 ppm1 6.611 ppm2 2.140
ASSI { 17592}
  (( segid "PROT" and resid 64  and name HG2  ))
  (( segid "PROT" and resid 61  and name HA  ))
     6 6 0 peak 17592 weight  0.1000E+01 volume 2.37220 ppm1 1.504 ppm2 3.886
ASSI { 17602}
  (( segid "PROT" and resid 64  and name HB2  ))
  (( segid "PROT" and resid 61  and name HA  ))
     6 6 0 peak 17602 weight  0.1000E+01 volume 5.70760 ppm1 1.937 ppm2 3.883
ASSI { 17612}
  (( segid "PROT" and resid 64  and name HB1  ))
  (( segid "PROT" and resid 61  and name HA  ))
     6 6 0 peak 17612 weight  0.1000E+01 volume 13.44640 ppm1 2.000 ppm2 3.880
ASSI { 17632}
  (( segid "PROT" and resid 100  and name HB1  ))
  (( segid "PROT" and resid 97  and name HA  ))
     6 6 0 peak 17632 weight  0.1000E+01 volume 10.83470 ppm1 2.032 ppm2 3.649
ASSI { 17642}
  (( segid "PROT" and resid 100  and name HD1  ))
  (( segid "PROT" and resid 97  and name HA  ))
     6 6 0 peak 17642 weight  0.1000E+01 volume 2.57750 ppm1 1.711 ppm2 3.644
ASSI { 17652}
  (( segid "PROT" and resid 97  and name HB1  ))
  (( segid "PROT" and resid 97  and name HA  ))
     6 6 0 peak 17652 weight  0.1000E+01 volume 15.48820 ppm1 1.607 ppm2 3.639
ASSI { 17662}
  (( segid "PROT" and resid 99  and name HB1  ))
  (( segid "PROT" and resid 99  and name HA  ))
     6 6 0 peak 17662 weight  0.1000E+01 volume 4.50190 ppm1 3.408 ppm2 3.786
ASSI { 17672}
  (( segid "PROT" and resid 102  and name HB1  ))
  (( segid "PROT" and resid 99  and name HA  ))
     6 6 0 peak 17672 weight  0.1000E+01 volume 3.56590 ppm1 3.044 ppm2 3.786
ASSI { 17682}
  (( segid "PROT" and resid 99  and name HB2  ))
  (( segid "PROT" and resid 99  and name HA  ))
     6 6 0 peak 17682 weight  0.1000E+01 volume 5.89420 ppm1 2.601 ppm2 3.783
ASSI { 17692}
  (( segid "PROT" and resid 97  and name HB2  ))
  (( segid "PROT" and resid 97  and name HA  ))
     6 6 0 peak 17692 weight  0.1000E+01 volume 4.53180 ppm1 1.337 ppm2 3.649
ASSI { 17702}
  (( segid "PROT" and resid 97  and name HG1  ))
  (( segid "PROT" and resid 97  and name HA  ))
     6 6 0 peak 17702 weight  0.1000E+01 volume 9.80990 ppm1 1.012 ppm2 3.654
ASSI { 17712}
  (( segid "PROT" and resid 97  and name HG2  ))
  (( segid "PROT" and resid 97  and name HA  ))
     6 6 0 peak 17712 weight  0.1000E+01 volume 4.75380 ppm1 0.688 ppm2 3.644
ASSI { 17722}
  (( segid "PROT" and resid 100  and name HE1  ))
  (( segid "PROT" and resid 97  and name HA  ))
     6 6 0 peak 17722 weight  0.1000E+01 volume 1.00880 ppm1 2.923 ppm2 3.644
ASSI { 17732}
  (( segid "PROT" and resid 97  and name HD1  ))
  (( segid "PROT" and resid 97  and name HA  ))
     6 6 0 peak 17732 weight  0.1000E+01 volume 2.75120 ppm1 3.010 ppm2 3.646
ASSI { 17742}
  (( segid "PROT" and resid 38  and name HA  ))
  (( segid "PROT" and resid 38  and name HB2  ))
     6 6 0 peak 17742 weight  0.1000E+01 volume 7.73670 ppm1 4.138 ppm2 1.647
ASSI { 17752}
  (( segid "PROT" and resid 38  and name HB1  ))
  (( segid "PROT" and resid 38  and name HB2  ))
     6 6 0 peak 17752 weight  0.1000E+01 volume 11.83520 ppm1 2.283 ppm2 1.646
ASSI { 17762}
  (( segid "PROT" and resid 38  and name HB2  ))
  (( segid "PROT" and resid 38  and name HG1  ))
     6 6 0 peak 17762 weight  0.1000E+01 volume 21.90050 ppm1 1.645 ppm2 1.943
ASSI { 17772}
  (( segid "PROT" and resid 56  and name HA  ))
  (( segid "PROT" and resid 56  and name HG2  ))
     6 6 0 peak 17772 weight  0.1000E+01 volume 12.67570 ppm1 4.132 ppm2 1.989
ASSI { 17782}
  (( segid "PROT" and resid 37  and name HB2  ))
  (( segid "PROT" and resid 38  and name HD1  ))
     6 6 0 peak 17782 weight  0.1000E+01 volume 3.18680 ppm1 1.781 ppm2 3.706
ASSI { 17792}
  (( segid "PROT" and resid 37  and name HB2  ))
  (( segid "PROT" and resid 38  and name HD2  ))
     6 6 0 peak 17792 weight  0.1000E+01 volume 2.40110 ppm1 1.774 ppm2 3.466
ASSI { 17802}
  (( segid "PROT" and resid 37  and name HA  ))
  (( segid "PROT" and resid 37  and name HB1  ))
     6 6 0 peak 17802 weight  0.1000E+01 volume 5.85720 ppm1 4.924 ppm2 2.196
ASSI { 17812}
  (( segid "PROT" and resid 37  and name HA  ))
  (( segid "PROT" and resid 37  and name HB2  ))
     6 6 0 peak 17812 weight  0.1000E+01 volume 13.41060 ppm1 4.922 ppm2 1.784
ASSI { 17822}
  (( segid "PROT" and resid 37  and name HB2  ))
  (( segid "PROT" and resid 37  and name HG2  ))
     6 6 0 peak 17822 weight  0.1000E+01 volume 31.76600 ppm1 1.778 ppm2 2.135
ASSI { 17832}
  (( segid "PROT" and resid 37  and name HB2  ))
  (( segid "PROT" and resid 37  and name HG1  ))
     6 6 0 peak 17832 weight  0.1000E+01 volume 22.19600 ppm1 1.772 ppm2 2.256
ASSI { 17842}
  (( segid "PROT" and resid 38  and name HD1  ))
  (( segid "PROT" and resid 37  and name HB2  ))
     6 6 0 peak 17842 weight  0.1000E+01 volume 2.26550 ppm1 3.691 ppm2 1.774
ASSI { 17852}
  (( segid "PROT" and resid 38  and name HD2  ))
  (( segid "PROT" and resid 37  and name HB2  ))
     6 6 0 peak 17852 weight  0.1000E+01 volume 5.47430 ppm1 3.465 ppm2 1.774
ASSI { 17862}
  (( segid "PROT" and resid 37  and name HB2  ))
  (( segid "PROT" and resid 37  and name HB1  ))
     6 6 0 peak 17862 weight  0.1000E+01 volume 27.24420 ppm1 1.772 ppm2 2.190
ASSI { 17872}
  (( segid "PROT" and resid 37  and name HB1  ))
  (( segid "PROT" and resid 37  and name HB2  ))
     6 6 0 peak 17872 weight  0.1000E+01 volume 25.94510 ppm1 2.175 ppm2 1.764
ASSI { 17882}
  (( segid "PROT" and resid 38  and name HG1  ))
  (( segid "PROT" and resid 38  and name HB2  ))
     6 6 0 peak 17882 weight  0.1000E+01 volume 12.75730 ppm1 1.953 ppm2 1.644
ASSI { 17892}
  (( segid "PROT" and resid 74  and name HD1  ))
  (( segid "PROT" and resid 73  and name HB2  ))
     6 6 0 peak 17892 weight  0.1000E+01 volume 1.89420 ppm1 3.764 ppm2 1.526
ASSI { 17902}
  (( segid "PROT" and resid 73  and name HA  ))
  (( segid "PROT" and resid 73  and name HB2  ))
     6 6 0 peak 17902 weight  0.1000E+01 volume 2.45250 ppm1 4.617 ppm2 1.508
ASSI { 17912}
  (( segid "PROT" and resid 73  and name HA  ))
  (( segid "PROT" and resid 73  and name HB1  ))
     6 6 0 peak 17912 weight  0.1000E+01 volume 4.84880 ppm1 4.640 ppm2 2.170
ASSI { 17922}
  (( segid "PROT" and resid 32  and name HB2  ))
  (( segid "PROT" and resid 32  and name HA  ))
     6 6 0 peak 17922 weight  0.1000E+01 volume 7.95050 ppm1 3.662 ppm2 4.357
ASSI { 17932}
  (( segid "PROT" and resid 16  and name HB1  ))
  (( segid "PROT" and resid 16  and name HA  ))
     6 6 0 peak 17932 weight  0.1000E+01 volume 20.32360 ppm1 2.125 ppm2 3.924
ASSI { 17942}
  (( segid "PROT" and resid 16  and name HG1  ))
  (( segid "PROT" and resid 16  and name HA  ))
     6 6 0 peak 17942 weight  0.1000E+01 volume 6.63050 ppm1 2.486 ppm2 3.921
ASSI { 17962}
  (( segid "PROT" and resid 16  and name HA  ))
  (( segid "PROT" and resid 16  and name HG2  ))
     6 6 0 peak 17962 weight  0.1000E+01 volume 22.52520 ppm1 3.924 ppm2 2.393
ASSI { 17972}
  (( segid "PROT" and resid 20  and name HA  ))
  (( segid "PROT" and resid 23  and name HG2  ))
     6 6 0 peak 17972 weight  0.1000E+01 volume 5.79820 ppm1 4.438 ppm2 2.120
ASSI { 17982}
  (( segid "PROT" and resid 118  and name HA  ))
  (( segid "PROT" and resid 118  and name HG1  ))
     6 6 0 peak 17982 weight  0.1000E+01 volume 22.91060 ppm1 4.114 ppm2 2.509
ASSI { 17992}
  (( segid "PROT" and resid 108  and name HA  ))
  (( segid "PROT" and resid 111  and name HG1  ))
     6 6 0 peak 17992 weight  0.1000E+01 volume 2.92810 ppm1 3.642 ppm2 2.526
ASSI { 18002}
  (( segid "PROT" and resid 108  and name HA  ))
  (( segid "PROT" and resid 111  and name HG2  ))
     6 6 0 peak 18002 weight  0.1000E+01 volume 6.87960 ppm1 3.640 ppm2 2.429
ASSI { 18012}
  (( segid "PROT" and resid 28  and name HA  ))
  (( segid "PROT" and resid 28  and name HB1  ))
     6 6 0 peak 18012 weight  0.1000E+01 volume 11.48280 ppm1 4.120 ppm2 2.095
ASSI { 18022}
  (( segid "PROT" and resid 118  and name HG1  ))
  (( segid "PROT" and resid 118  and name HA  ))
     6 6 0 peak 18022 weight  0.1000E+01 volume 14.64350 ppm1 2.504 ppm2 4.115
ASSI { 18032}
  (( segid "PROT" and resid 118  and name HG1  ))
  (( segid "PROT" and resid 118  and name HB2  ))
     6 6 0 peak 18032 weight  0.1000E+01 volume 62.44870 ppm1 2.498 ppm2 2.058
ASSI { 18042}
  (( segid "PROT" and resid 118  and name HG1  ))
  (( segid "PROT" and resid 118  and name HB1  ))
     6 6 0 peak 18042 weight  0.1000E+01 volume 29.20580 ppm1 2.497 ppm2 2.148
ASSI { 18052}
  (( segid "PROT" and resid 118  and name HA  ))
  (( segid "PROT" and resid 118  and name HB1  ))
     6 6 0 peak 18052 weight  0.1000E+01 volume 63.81460 ppm1 4.114 ppm2 2.156
ASSI { 18062}
  (( segid "PROT" and resid 76  and name HG1  ))
  (( segid "PROT" and resid 76  and name HA  ))
     6 6 0 peak 18062 weight  0.1000E+01 volume 7.65310 ppm1 1.895 ppm2 3.882
ASSI { 18072}
  (( segid "PROT" and resid 76  and name HB1  ))
  (( segid "PROT" and resid 76  and name HA  ))
     6 6 0 peak 18072 weight  0.1000E+01 volume 6.05180 ppm1 2.222 ppm2 3.901
ASSI { 18082}
  (( segid "PROT" and resid 79  and name HB1  ))
  (( segid "PROT" and resid 76  and name HA  ))
     6 6 0 peak 18082 weight  0.1000E+01 volume 4.59970 ppm1 2.853 ppm2 3.878
ASSI { 18092}
  (( segid "PROT" and resid 75  and name HE3  ))
  (( segid "PROT" and resid 76  and name HA  ))
     6 6 0 peak 18092 weight  0.1000E+01 volume 0.88170 ppm1 7.545 ppm2 3.883
ASSI { 18102}
  (( segid "PROT" and resid 76  and name HA  ))
  (( segid "PROT" and resid 76  and name HG1  ))
     6 6 0 peak 18102 weight  0.1000E+01 volume 2.69660 ppm1 3.885 ppm2 1.891
ASSI { 18112}
  (( segid "PROT" and resid 76  and name HA  ))
  (( segid "PROT" and resid 76  and name HG2  ))
     6 6 0 peak 18112 weight  0.1000E+01 volume 1.37420 ppm1 3.881 ppm2 1.367
ASSI { 18122}
  (( segid "PROT" and resid 76  and name HG1  ))
  (( segid "PROT" and resid 76  and name HG2  ))
     6 6 0 peak 18122 weight  0.1000E+01 volume 5.89910 ppm1 1.894 ppm2 1.349
ASSI { 18132}
  (( segid "PROT" and resid 76  and name HA  ))
  (( segid "PROT" and resid 76  and name HB1  ))
     6 6 0 peak 18132 weight  0.1000E+01 volume 3.27690 ppm1 3.884 ppm2 2.199
ASSI { 18142}
  (( segid "PROT" and resid 76  and name HA  ))
  (( segid "PROT" and resid 76  and name HB2  ))
     6 6 0 peak 18142 weight  0.1000E+01 volume 7.47180 ppm1 3.881 ppm2 2.038
ASSI { 18152}
  (( segid "PROT" and resid 70  and name HB1  ))
  (( segid "PROT" and resid 70  and name HA  ))
     6 6 0 peak 18152 weight  0.1000E+01 volume 15.03970 ppm1 1.995 ppm2 3.985
ASSI { 18162}
  (( segid "PROT" and resid 70  and name HG2  ))
  (( segid "PROT" and resid 70  and name HA  ))
     6 6 0 peak 18162 weight  0.1000E+01 volume 19.48060 ppm1 2.204 ppm2 3.975
ASSI { 18172}
  (( segid "PROT" and resid 70  and name HG1  ))
  (( segid "PROT" and resid 70  and name HA  ))
     6 6 0 peak 18172 weight  0.1000E+01 volume 9.95580 ppm1 2.264 ppm2 3.978
ASSI { 18182}
  (( segid "PROT" and resid 110  and name HA  ))
  (( segid "PROT" and resid 110  and name HB1  ))
     6 6 0 peak 18182 weight  0.1000E+01 volume 15.23060 ppm1 4.002 ppm2 2.362
ASSI { 18192}
  (( segid "PROT" and resid 110  and name HA  ))
  (( segid "PROT" and resid 110  and name HB2  ))
     6 6 0 peak 18192 weight  0.1000E+01 volume 10.56080 ppm1 4.003 ppm2 2.152
ASSI { 18202}
  (( segid "PROT" and resid 110  and name HG2  ))
  (( segid "PROT" and resid 110  and name HA  ))
     6 6 0 peak 18202 weight  0.1000E+01 volume 18.70540 ppm1 2.514 ppm2 4.009
ASSI { 18212}
  (( segid "PROT" and resid 110  and name HB1  ))
  (( segid "PROT" and resid 110  and name HA  ))
     6 6 0 peak 18212 weight  0.1000E+01 volume 19.47350 ppm1 2.369 ppm2 4.005
ASSI { 18222}
  (( segid "PROT" and resid 110  and name HB2  ))
  (( segid "PROT" and resid 110  and name HA  ))
     6 6 0 peak 18222 weight  0.1000E+01 volume 27.77700 ppm1 2.162 ppm2 4.002
ASSI { 18232}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 110  and name HA  ))
     6 6 0 peak 18232 weight  0.1000E+01 volume 22.34960 ppm1 0.720 ppm2 4.000
ASSI { 18242}
  (( segid "PROT" and resid 107  and name HA  ))
  (( segid "PROT" and resid 110  and name HG1  ))
     6 6 0 peak 18242 weight  0.1000E+01 volume 3.68780 ppm1 4.125 ppm2 2.818
ASSI { 18252}
  (( segid "PROT" and resid 107  and name HA  ))
  (( segid "PROT" and resid 110  and name HG2  ))
     6 6 0 peak 18252 weight  0.1000E+01 volume 6.35860 ppm1 4.130 ppm2 2.508
ASSI { 18262}
  (( segid "PROT" and resid 110  and name HB1  ))
  (( segid "PROT" and resid 110  and name HG2  ))
     6 6 0 peak 18262 weight  0.1000E+01 volume 43.18070 ppm1 2.370 ppm2 2.515
ASSI { 18272}
  (( segid "PROT" and resid 110  and name HB2  ))
  (( segid "PROT" and resid 110  and name HG2  ))
     6 6 0 peak 18272 weight  0.1000E+01 volume 22.88310 ppm1 2.167 ppm2 2.517
ASSI { 18282}
  (( segid "PROT" and resid 82  and name HZ2  ))
  (( segid "PROT" and resid 110  and name HB1  ))
     6 6 0 peak 18282 weight  0.1000E+01 volume 2.41110 ppm1 7.722 ppm2 2.366
ASSI { 18292}
  (( segid "PROT" and resid 110  and name HG1  ))
  (( segid "PROT" and resid 110  and name HB1  ))
     6 6 0 peak 18292 weight  0.1000E+01 volume 11.20860 ppm1 2.818 ppm2 2.370
ASSI { 18302}
  (( segid "PROT" and resid 110  and name HG1  ))
  (( segid "PROT" and resid 110  and name HB2  ))
     6 6 0 peak 18302 weight  0.1000E+01 volume 21.48710 ppm1 2.822 ppm2 2.165
ASSI { 18312}
  (( segid "PROT" and resid 110  and name HG2  ))
  (( segid "PROT" and resid 110  and name HB1  ))
     6 6 0 peak 18312 weight  0.1000E+01 volume 18.80720 ppm1 2.521 ppm2 2.369
ASSI { 18322}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 110  and name HB1  ))
     6 6 0 peak 18322 weight  0.1000E+01 volume 2.07810 ppm1 0.719 ppm2 2.365
ASSI { 18332}
  (( segid "PROT" and resid 23  and name HG1  ))
  (( segid "PROT" and resid 23  and name HA  ))
     6 6 0 peak 18332 weight  0.1000E+01 volume 6.05250 ppm1 2.304 ppm2 4.012
ASSI { 18342}
  (( segid "PROT" and resid 23  and name HG2  ))
  (( segid "PROT" and resid 23  and name HA  ))
     6 6 0 peak 18342 weight  0.1000E+01 volume 32.29440 ppm1 2.129 ppm2 4.005
ASSI { 18352}
  (( segid "PROT" and resid 74  and name HD2  ))
  (( segid "PROT" and resid 73  and name HA  ))
     6 6 0 peak 18352 weight  0.1000E+01 volume 2.67010 ppm1 2.753 ppm2 4.613
ASSI { 18362}
  (( segid "PROT" and resid 75  and name HD1  ))
  (( segid "PROT" and resid 73  and name HB2  ))
     6 6 0 peak 18362 weight  0.1000E+01 volume 0.60740 ppm1 7.470 ppm2 1.529
ASSI { 18372}
  (( segid "PROT" and resid 73  and name HG1  ))
  (( segid "PROT" and resid 73  and name HB2  ))
     6 6 0 peak 18372 weight  0.1000E+01 volume 3.57450 ppm1 2.438 ppm2 1.519
ASSI { 18382}
  (( segid "PROT" and resid 73  and name HB2  ))
  (( segid "PROT" and resid 73  and name HB1  ))
     6 6 0 peak 18382 weight  0.1000E+01 volume 15.81760 ppm1 1.545 ppm2 2.177
ASSI { 18392}
  (( segid "PROT" and resid 73  and name HA  ))
  (( segid "PROT" and resid 73  and name HG2  ))
     6 6 0 peak 18392 weight  0.1000E+01 volume 1.35290 ppm1 4.610 ppm2 2.246
ASSI { 18402}
  (( segid "PROT" and resid 74  and name HD1  ))
  (( segid "PROT" and resid 73  and name HG1  ))
     6 6 0 peak 18402 weight  0.1000E+01 volume 2.30910 ppm1 3.756 ppm2 2.434
ASSI { 18412}
  (( segid "PROT" and resid 73  and name HG2  ))
  (( segid "PROT" and resid 73  and name HG1  ))
     6 6 0 peak 18412 weight  0.1000E+01 volume 35.38500 ppm1 2.250 ppm2 2.437
ASSI { 18422}
  (( segid "PROT" and resid 73  and name HG1  ))
  (( segid "PROT" and resid 73  and name HG2  ))
     6 6 0 peak 18422 weight  0.1000E+01 volume 15.89860 ppm1 2.436 ppm2 2.251
ASSI { 18432}
  (( segid "PROT" and resid 73  and name HB2  ))
  (( segid "PROT" and resid 73  and name HG1  ))
     6 6 0 peak 18432 weight  0.1000E+01 volume 4.76360 ppm1 1.524 ppm2 2.436
ASSI { 18442}
  (( segid "PROT" and resid 73  and name HB2  ))
  (( segid "PROT" and resid 73  and name HG2  ))
     6 6 0 peak 18442 weight  0.1000E+01 volume 5.65880 ppm1 1.523 ppm2 2.253
ASSI { 18452}
  (( segid "PROT" and resid 23  and name HA  ))
  (( segid "PROT" and resid 23  and name HG2  ))
     6 6 0 peak 18452 weight  0.1000E+01 volume 13.77800 ppm1 4.024 ppm2 2.122
ASSI { 18462}
  (( segid "PROT" and resid 23  and name HA  ))
  (( segid "PROT" and resid 23  and name HG1  ))
     6 6 0 peak 18462 weight  0.1000E+01 volume 9.30000 ppm1 4.021 ppm2 2.313
ASSI { 18472}
  (( segid "PROT" and resid 23  and name HB2  ))
  (( segid "PROT" and resid 23  and name HG1  ))
     6 6 0 peak 18472 weight  0.1000E+01 volume 10.60880 ppm1 1.985 ppm2 2.318
ASSI { 18482}
  (( segid "PROT" and resid 23  and name HB2  ))
  (( segid "PROT" and resid 23  and name HG2  ))
     6 6 0 peak 18482 weight  0.1000E+01 volume 15.57740 ppm1 1.982 ppm2 2.117
ASSI { 18492}
  (( segid "PROT" and resid 23  and name HA  ))
  (( segid "PROT" and resid 23  and name HB1  ))
     6 6 0 peak 18492 weight  0.1000E+01 volume 24.64220 ppm1 4.023 ppm2 1.998
ASSI { 18502}
  (( segid "PROT" and resid 20  and name HA  ))
  (( segid "PROT" and resid 23  and name HB1  ))
     6 6 0 peak 18502 weight  0.1000E+01 volume 10.43200 ppm1 4.440 ppm2 2.006
ASSI { 18512}
  (( segid "PROT" and resid 23  and name HG1  ))
  (( segid "PROT" and resid 23  and name HB1  ))
     6 6 0 peak 18512 weight  0.1000E+01 volume 33.83010 ppm1 2.319 ppm2 2.017
ASSI { 18522}
  (( segid "PROT" and resid 23  and name HB2  ))
  (( segid "PROT" and resid 23  and name HA  ))
     6 6 0 peak 18522 weight  0.1000E+01 volume 8.44580 ppm1 1.976 ppm2 4.026
ASSI { 18532}
  (( segid "PROT" and resid 23  and name HB1  ))
  (( segid "PROT" and resid 23  and name HA  ))
     6 6 0 peak 18532 weight  0.1000E+01 volume 15.77600 ppm1 2.043 ppm2 4.027
ASSI { 18542}
  (( segid "PROT" and resid 107  and name HA  ))
  (( segid "PROT" and resid 107  and name HB1  ))
     6 6 0 peak 18542 weight  0.1000E+01 volume 24.40720 ppm1 4.135 ppm2 2.197
ASSI { 18552}
  (( segid "PROT" and resid 107  and name HG1  ))
  (( segid "PROT" and resid 107  and name HG2  ))
     6 6 0 peak 18552 weight  0.1000E+01 volume 59.18730 ppm1 2.488 ppm2 2.199
ASSI { 18562}
  (( segid "PROT" and resid 104  and name HA  ))
  (( segid "PROT" and resid 107  and name HG2  ))
     6 6 0 peak 18562 weight  0.1000E+01 volume 4.83650 ppm1 4.243 ppm2 2.196
ASSI { 18572}
  (( segid "PROT" and resid 104  and name HA  ))
  (( segid "PROT" and resid 107  and name HG1  ))
     6 6 0 peak 18572 weight  0.1000E+01 volume 4.60870 ppm1 4.234 ppm2 2.492
ASSI { 18582}
  (( segid "PROT" and resid 117  and name HB2  ))
  (( segid "PROT" and resid 117  and name HB1  ))
     6 6 0 peak 18582 weight  0.1000E+01 volume 38.65680 ppm1 1.977 ppm2 2.199
ASSI { 18592}
  (( segid "PROT" and resid 13  and name HA  ))
  (( segid "PROT" and resid 13  and name HB1  ))
     6 6 0 peak 18592 weight  0.1000E+01 volume 31.46840 ppm1 4.136 ppm2 2.399
ASSI { 18602}
  (( segid "PROT" and resid 104  and name HA  ))
  (( segid "PROT" and resid 107  and name HB1  ))
     6 6 0 peak 18602 weight  0.1000E+01 volume 8.60760 ppm1 4.244 ppm2 2.232
ASSI { 18612}
  (( segid "PROT" and resid 112  and name HG2  ))
  (( segid "PROT" and resid 112  and name HG1  ))
     6 6 0 peak 18612 weight  0.1000E+01 volume 32.32680 ppm1 2.014 ppm2 2.479
ASSI { 18622}
  (( segid "PROT" and resid 112  and name HG1  ))
  (( segid "PROT" and resid 112  and name HG2  ))
     6 6 0 peak 18622 weight  0.1000E+01 volume 19.92380 ppm1 2.498 ppm2 2.016
ASSI { 18632}
  (( segid "PROT" and resid 112  and name HB2  ))
  (( segid "PROT" and resid 112  and name HG2  ))
     6 6 0 peak 18632 weight  0.1000E+01 volume 8.60110 ppm1 1.761 ppm2 2.016
ASSI { 18642}
  (( segid "PROT" and resid 112  and name HB2  ))
  (( segid "PROT" and resid 112  and name HG1  ))
     6 6 0 peak 18642 weight  0.1000E+01 volume 4.65940 ppm1 1.763 ppm2 2.494
ASSI { 18652}
  (( segid "PROT" and resid 24  and name HB#  ))
  (( segid "PROT" and resid 112  and name HG2  ))
     6 6 0 peak 18652 weight  0.1000E+01 volume 7.68660 ppm1 1.418 ppm2 2.005
ASSI { 18662}
  (( segid "PROT" and resid 21  and name HG2#  ))
  (( segid "PROT" and resid 112  and name HG2  ))
     6 6 0 peak 18662 weight  0.1000E+01 volume 3.06530 ppm1 1.302 ppm2 2.008
ASSI { 18672}
  (( segid "PROT" and resid 108  and name HG2#  ))
  (( segid "PROT" and resid 112  and name HG2  ))
     6 6 0 peak 18672 weight  0.1000E+01 volume 5.54340 ppm1 0.870 ppm2 2.013
ASSI { 18682}
  (( segid "PROT" and resid 21  and name HG2#  ))
  (( segid "PROT" and resid 112  and name HG1  ))
     6 6 0 peak 18682 weight  0.1000E+01 volume 1.54780 ppm1 1.304 ppm2 2.483
ASSI { 18692}
  (( segid "PROT" and resid 112  and name HB1  ))
  (( segid "PROT" and resid 112  and name HB2  ))
     6 6 0 peak 18692 weight  0.1000E+01 volume 42.77030 ppm1 2.014 ppm2 1.747
ASSI { 18702}
  (( segid "PROT" and resid 112  and name HG1  ))
  (( segid "PROT" and resid 112  and name HB2  ))
     6 6 0 peak 18702 weight  0.1000E+01 volume 4.64700 ppm1 2.497 ppm2 1.772
ASSI { 18712}
  (( segid "PROT" and resid 112  and name HB2  ))
  (( segid "PROT" and resid 112  and name HB1  ))
     6 6 0 peak 18712 weight  0.1000E+01 volume 38.02610 ppm1 1.763 ppm2 1.999
ASSI { 18722}
  (( segid "PROT" and resid 21  and name HG2#  ))
  (( segid "PROT" and resid 112  and name HB1  ))
     6 6 0 peak 18722 weight  0.1000E+01 volume 7.48700 ppm1 1.303 ppm2 2.011
ASSI { 18732}
  (( segid "PROT" and resid 21  and name HG2#  ))
  (( segid "PROT" and resid 112  and name HB2  ))
     6 6 0 peak 18732 weight  0.1000E+01 volume 4.72970 ppm1 1.306 ppm2 1.772
ASSI { 18742}
  (( segid "PROT" and resid 112  and name HB2  ))
  (( segid "PROT" and resid 112  and name HA  ))
     6 6 0 peak 18742 weight  0.1000E+01 volume 15.94810 ppm1 1.762 ppm2 4.116
ASSI { 18752}
  (( segid "PROT" and resid 63  and name HB1  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 18752 weight  0.1000E+01 volume 17.33710 ppm1 1.995 ppm2 3.687
ASSI { 18762}
  (( segid "PROT" and resid 84  and name HB1  ))
  (( segid "PROT" and resid 84  and name HB2  ))
     6 6 0 peak 18762 weight  0.1000E+01 volume 5.78850 ppm1 2.208 ppm2 1.216
ASSI { 18772}
  (( segid "PROT" and resid 84  and name HB2  ))
  (( segid "PROT" and resid 84  and name HB1  ))
     6 6 0 peak 18772 weight  0.1000E+01 volume 5.95820 ppm1 1.228 ppm2 2.201
ASSI { 18782}
  (( segid "PROT" and resid 84  and name HA  ))
  (( segid "PROT" and resid 84  and name HB2  ))
     6 6 0 peak 18782 weight  0.1000E+01 volume 2.53630 ppm1 3.649 ppm2 1.219
ASSI { 18792}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 63  and name HG1  ))
     6 6 0 peak 18792 weight  0.1000E+01 volume 3.79060 ppm1 3.695 ppm2 1.461
ASSI { 18802}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 63  and name HG2  ))
     6 6 0 peak 18802 weight  0.1000E+01 volume 9.99310 ppm1 3.692 ppm2 1.177
ASSI { 18812}
  (( segid "PROT" and resid 28  and name HB2  ))
  (( segid "PROT" and resid 28  and name HA  ))
     6 6 0 peak 18812 weight  0.1000E+01 volume 21.93440 ppm1 2.061 ppm2 4.126
ASSI { 18822}
  (( segid "PROT" and resid 28  and name HB1  ))
  (( segid "PROT" and resid 28  and name HA  ))
     6 6 0 peak 18822 weight  0.1000E+01 volume 13.91690 ppm1 2.121 ppm2 4.128
ASSI { 18832}
  (( segid "PROT" and resid 15  and name HA  ))
  (( segid "PROT" and resid 15  and name HB1  ))
     6 6 0 peak 18832 weight  0.1000E+01 volume 15.69210 ppm1 3.666 ppm2 1.858
ASSI { 18842}
  (( segid "PROT" and resid 97  and name HA  ))
  (( segid "PROT" and resid 97  and name HB2  ))
     6 6 0 peak 18842 weight  0.1000E+01 volume 17.56810 ppm1 3.647 ppm2 1.335
ASSI { 18852}
  (( segid "PROT" and resid 18  and name HB2  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 18852 weight  0.1000E+01 volume 1.01650 ppm1 0.345 ppm2 3.662
ASSI { 18862}
  (( segid "PROT" and resid 15  and name HB1  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 18862 weight  0.1000E+01 volume 39.79490 ppm1 1.860 ppm2 3.665
ASSI { 18872}
  (( segid "PROT" and resid 63  and name HG1  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 18872 weight  0.1000E+01 volume 13.38910 ppm1 1.459 ppm2 3.687
ASSI { 18882}
  (( segid "PROT" and resid 15  and name HD1  ))
  (( segid "PROT" and resid 15  and name HB1  ))
     6 6 0 peak 18882 weight  0.1000E+01 volume 9.12490 ppm1 3.280 ppm2 1.857
ASSI { 18892}
  (( segid "PROT" and resid 15  and name HD1  ))
  (( segid "PROT" and resid 15  and name HG2  ))
     6 6 0 peak 18892 weight  0.1000E+01 volume 20.24720 ppm1 3.280 ppm2 1.461
ASSI { 18902}
  (( segid "PROT" and resid 15  and name HD1  ))
  (( segid "PROT" and resid 15  and name HG1  ))
     6 6 0 peak 18902 weight  0.1000E+01 volume 17.89480 ppm1 3.280 ppm2 1.543
ASSI { 18912}
  (( segid "PROT" and resid 15  and name HA  ))
  (( segid "PROT" and resid 15  and name HG2  ))
     6 6 0 peak 18912 weight  0.1000E+01 volume 18.91130 ppm1 3.664 ppm2 1.460
ASSI { 18922}
  (( segid "PROT" and resid 15  and name HA  ))
  (( segid "PROT" and resid 15  and name HG1  ))
     6 6 0 peak 18922 weight  0.1000E+01 volume 10.01960 ppm1 3.664 ppm2 1.546
ASSI { 18932}
  (( segid "PROT" and resid 15  and name HB1  ))
  (( segid "PROT" and resid 15  and name HG1  ))
     6 6 0 peak 18932 weight  0.1000E+01 volume 40.77670 ppm1 1.860 ppm2 1.550
ASSI { 18942}
  (( segid "PROT" and resid 15  and name HB1  ))
  (( segid "PROT" and resid 15  and name HG2  ))
     6 6 0 peak 18942 weight  0.1000E+01 volume 16.76290 ppm1 1.863 ppm2 1.460
ASSI { 18952}
  (( segid "PROT" and resid 12  and name HA  ))
  (( segid "PROT" and resid 15  and name HD1  ))
     6 6 0 peak 18952 weight  0.1000E+01 volume 9.02350 ppm1 4.158 ppm2 3.264
ASSI { 18962}
  (( segid "PROT" and resid 15  and name HB1  ))
  (( segid "PROT" and resid 15  and name HD1  ))
     6 6 0 peak 18962 weight  0.1000E+01 volume 45.11490 ppm1 1.859 ppm2 3.276
ASSI { 18972}
  (( segid "PROT" and resid 15  and name HG1  ))
  (( segid "PROT" and resid 15  and name HD1  ))
     6 6 0 peak 18972 weight  0.1000E+01 volume 22.75140 ppm1 1.545 ppm2 3.274
ASSI { 18982}
  (( segid "PROT" and resid 15  and name HG2  ))
  (( segid "PROT" and resid 15  and name HD1  ))
     6 6 0 peak 18982 weight  0.1000E+01 volume 15.40510 ppm1 1.457 ppm2 3.275
ASSI { 18992}
  (( segid "PROT" and resid 101  and name HE1  ))
  (( segid "PROT" and resid 97  and name HD1  ))
     6 6 0 peak 18992 weight  0.1000E+01 volume 7.13050 ppm1 7.313 ppm2 3.011
ASSI { 19002}
  (( segid "PROT" and resid 101  and name HZ  ))
  (( segid "PROT" and resid 97  and name HD1  ))
     6 6 0 peak 19002 weight  0.1000E+01 volume 15.12720 ppm1 7.152 ppm2 3.011
ASSI { 19012}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 97  and name HD1  ))
     6 6 0 peak 19012 weight  0.1000E+01 volume 6.11210 ppm1 7.104 ppm2 3.011
ASSI { 19022}
  (( segid "PROT" and resid 15  and name HG2  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 19022 weight  0.1000E+01 volume 18.91580 ppm1 1.454 ppm2 0.740
ASSI { 19032}
  (( segid "PROT" and resid 27  and name HG1  ))
  (( segid "PROT" and resid 27  and name HA  ))
     6 6 0 peak 19032 weight  0.1000E+01 volume 24.34940 ppm1 1.694 ppm2 4.007
ASSI { 19042}
  (( segid "PROT" and resid 27  and name HB2  ))
  (( segid "PROT" and resid 27  and name HA  ))
     6 6 0 peak 19042 weight  0.1000E+01 volume 28.18120 ppm1 1.813 ppm2 4.013
ASSI { 19052}
  (( segid "PROT" and resid 27  and name HB1  ))
  (( segid "PROT" and resid 27  and name HA  ))
     6 6 0 peak 19052 weight  0.1000E+01 volume 17.27930 ppm1 1.890 ppm2 4.015
ASSI { 19062}
  (( segid "PROT" and resid 27  and name HA  ))
  (( segid "PROT" and resid 27  and name HB2  ))
     6 6 0 peak 19062 weight  0.1000E+01 volume 16.71460 ppm1 4.016 ppm2 1.832
ASSI { 19072}
  (( segid "PROT" and resid 27  and name HD2  ))
  (( segid "PROT" and resid 27  and name HG1  ))
     6 6 0 peak 19072 weight  0.1000E+01 volume 37.19580 ppm1 3.122 ppm2 1.687
ASSI { 19082}
  (( segid "PROT" and resid 27  and name HD1  ))
  (( segid "PROT" and resid 27  and name HG1  ))
     6 6 0 peak 19082 weight  0.1000E+01 volume 30.21230 ppm1 3.188 ppm2 1.689
ASSI { 19092}
  (( segid "PROT" and resid 27  and name HA  ))
  (( segid "PROT" and resid 27  and name HG1  ))
     6 6 0 peak 19092 weight  0.1000E+01 volume 19.11000 ppm1 4.014 ppm2 1.687
ASSI { 19102}
  (( segid "PROT" and resid 27  and name HB1  ))
  (( segid "PROT" and resid 27  and name HG1  ))
     6 6 0 peak 19102 weight  0.1000E+01 volume 48.96980 ppm1 1.891 ppm2 1.697
ASSI { 19112}
  (( segid "PROT" and resid 27  and name HB1  ))
  (( segid "PROT" and resid 27  and name HD1  ))
     6 6 0 peak 19112 weight  0.1000E+01 volume 18.92860 ppm1 1.896 ppm2 3.174
ASSI { 19122}
  (( segid "PROT" and resid 27  and name HA  ))
  (( segid "PROT" and resid 27  and name HD1  ))
     6 6 0 peak 19122 weight  0.1000E+01 volume 5.75110 ppm1 4.012 ppm2 3.174
ASSI { 19132}
  (( segid "PROT" and resid 93  and name HD1  ))
  (( segid "PROT" and resid 93  and name HA  ))
     6 6 0 peak 19132 weight  0.1000E+01 volume 23.95520 ppm1 3.164 ppm2 4.307
ASSI { 19142}
  (( segid "PROT" and resid 5  and name HA  ))
  (( segid "PROT" and resid 5  and name HB1  ))
     6 6 0 peak 19142 weight  0.1000E+01 volume 17.52070 ppm1 4.328 ppm2 1.841
ASSI { 19152}
  (( segid "PROT" and resid 5  and name HA  ))
  (( segid "PROT" and resid 5  and name HB2  ))
     6 6 0 peak 19152 weight  0.1000E+01 volume 2.66380 ppm1 4.329 ppm2 1.746
ASSI { 19162}
  (( segid "PROT" and resid 5  and name HB1  ))
  (( segid "PROT" and resid 5  and name HG1  ))
     6 6 0 peak 19162 weight  0.1000E+01 volume 61.73300 ppm1 1.831 ppm2 1.610
ASSI { 19172}
  (( segid "PROT" and resid 5  and name HB2  ))
  (( segid "PROT" and resid 5  and name HG1  ))
     6 6 0 peak 19172 weight  0.1000E+01 volume 180.54860 ppm1 1.750 ppm2 1.603
ASSI { 19182}
  (( segid "PROT" and resid 5  and name HD1  ))
  (( segid "PROT" and resid 5  and name HG1  ))
     6 6 0 peak 19182 weight  0.1000E+01 volume 38.67830 ppm1 3.151 ppm2 1.595
ASSI { 19192}
  (( segid "PROT" and resid 97  and name HD1  ))
  (( segid "PROT" and resid 97  and name HB1  ))
     6 6 0 peak 19192 weight  0.1000E+01 volume 12.84340 ppm1 3.013 ppm2 1.604
ASSI { 19202}
  (( segid "PROT" and resid 97  and name HD1  ))
  (( segid "PROT" and resid 97  and name HB2  ))
     6 6 0 peak 19202 weight  0.1000E+01 volume 16.53150 ppm1 3.009 ppm2 1.340
ASSI { 19212}
  (( segid "PROT" and resid 97  and name HB2  ))
  (( segid "PROT" and resid 97  and name HB1  ))
     6 6 0 peak 19212 weight  0.1000E+01 volume 32.02810 ppm1 1.333 ppm2 1.601
ASSI { 19222}
  (( segid "PROT" and resid 97  and name HB1  ))
  (( segid "PROT" and resid 97  and name HB2  ))
     6 6 0 peak 19222 weight  0.1000E+01 volume 52.92210 ppm1 1.601 ppm2 1.337
ASSI { 19232}
  (( segid "PROT" and resid 97  and name HG1  ))
  (( segid "PROT" and resid 97  and name HB1  ))
     6 6 0 peak 19232 weight  0.1000E+01 volume 10.20630 ppm1 1.016 ppm2 1.601
ASSI { 19242}
  (( segid "PROT" and resid 97  and name HG1  ))
  (( segid "PROT" and resid 97  and name HB2  ))
     6 6 0 peak 19242 weight  0.1000E+01 volume 11.80110 ppm1 1.019 ppm2 1.337
ASSI { 19252}
  (( segid "PROT" and resid 97  and name HG2  ))
  (( segid "PROT" and resid 97  and name HB1  ))
     6 6 0 peak 19252 weight  0.1000E+01 volume 9.21680 ppm1 0.684 ppm2 1.606
ASSI { 19262}
  (( segid "PROT" and resid 97  and name HG2  ))
  (( segid "PROT" and resid 97  and name HB2  ))
     6 6 0 peak 19262 weight  0.1000E+01 volume 8.69080 ppm1 0.687 ppm2 1.333
ASSI { 19272}
  (( segid "PROT" and resid 97  and name HG2  ))
  (( segid "PROT" and resid 97  and name HD1  ))
     6 6 0 peak 19272 weight  0.1000E+01 volume 20.79910 ppm1 0.686 ppm2 3.008
ASSI { 19282}
  (( segid "PROT" and resid 97  and name HG1  ))
  (( segid "PROT" and resid 97  and name HD1  ))
     6 6 0 peak 19282 weight  0.1000E+01 volume 22.34870 ppm1 1.018 ppm2 3.008
ASSI { 19292}
  (( segid "PROT" and resid 97  and name HB2  ))
  (( segid "PROT" and resid 97  and name HD1  ))
     6 6 0 peak 19292 weight  0.1000E+01 volume 21.50680 ppm1 1.337 ppm2 3.009
ASSI { 19302}
  (( segid "PROT" and resid 97  and name HB1  ))
  (( segid "PROT" and resid 97  and name HD1  ))
     6 6 0 peak 19302 weight  0.1000E+01 volume 15.71710 ppm1 1.607 ppm2 3.013
ASSI { 19312}
  (( segid "PROT" and resid 97  and name HA  ))
  (( segid "PROT" and resid 97  and name HD1  ))
     6 6 0 peak 19312 weight  0.1000E+01 volume 9.60590 ppm1 3.651 ppm2 3.003
ASSI { 19322}
  (( segid "PROT" and resid 97  and name HD1  ))
  (( segid "PROT" and resid 97  and name HG2  ))
     6 6 0 peak 19322 weight  0.1000E+01 volume 19.99280 ppm1 3.010 ppm2 0.686
ASSI { 19332}
  (( segid "PROT" and resid 97  and name HA  ))
  (( segid "PROT" and resid 97  and name HG2  ))
     6 6 0 peak 19332 weight  0.1000E+01 volume 5.59620 ppm1 3.648 ppm2 0.686
ASSI { 19342}
  (( segid "PROT" and resid 97  and name HB2  ))
  (( segid "PROT" and resid 97  and name HG2  ))
     6 6 0 peak 19342 weight  0.1000E+01 volume 16.31510 ppm1 1.339 ppm2 0.680
ASSI { 19352}
  (( segid "PROT" and resid 97  and name HB1  ))
  (( segid "PROT" and resid 97  and name HG2  ))
     6 6 0 peak 19352 weight  0.1000E+01 volume 13.64330 ppm1 1.605 ppm2 0.675
ASSI { 19362}
  (( segid "PROT" and resid 97  and name HG1  ))
  (( segid "PROT" and resid 97  and name HG2  ))
     6 6 0 peak 19362 weight  0.1000E+01 volume 19.26930 ppm1 1.015 ppm2 0.683
ASSI { 19372}
  (( segid "PROT" and resid 100  and name HA  ))
  (( segid "PROT" and resid 100  and name HB1  ))
     6 6 0 peak 19372 weight  0.1000E+01 volume 27.96120 ppm1 4.320 ppm2 2.030
ASSI { 19382}
  (( segid "PROT" and resid 100  and name HB1  ))
  (( segid "PROT" and resid 100  and name HG2  ))
     6 6 0 peak 19382 weight  0.1000E+01 volume 28.29160 ppm1 2.032 ppm2 1.634
ASSI { 19392}
  (( segid "PROT" and resid 100  and name HE1  ))
  (( segid "PROT" and resid 100  and name HD1  ))
     6 6 0 peak 19392 weight  0.1000E+01 volume 9.50660 ppm1 2.927 ppm2 1.725
ASSI { 19402}
  (( segid "PROT" and resid 100  and name HE1  ))
  (( segid "PROT" and resid 100  and name HD2  ))
     6 6 0 peak 19402 weight  0.1000E+01 volume 16.69320 ppm1 2.927 ppm2 1.646
ASSI { 19412}
  (( segid "PROT" and resid 100  and name HA  ))
  (( segid "PROT" and resid 100  and name HD1  ))
     6 6 0 peak 19412 weight  0.1000E+01 volume 4.59180 ppm1 4.321 ppm2 1.703
ASSI { 19422}
  (( segid "PROT" and resid 100  and name HA  ))
  (( segid "PROT" and resid 100  and name HE1  ))
     6 6 0 peak 19422 weight  0.1000E+01 volume 12.13940 ppm1 4.267 ppm2 2.920
ASSI { 19432}
  (( segid "PROT" and resid 97  and name HG1  ))
  (( segid "PROT" and resid 97  and name HD1  ))
     6 6 0 peak 19432 weight  0.1000E+01 volume 19.60730 ppm1 1.707 ppm2 2.924
ASSI { 19442}
  (( segid "PROT" and resid 104  and name HB1  ))
  (( segid "PROT" and resid 104  and name HE1  ))
     6 6 0 peak 19442 weight  0.1000E+01 volume 33.52820 ppm1 1.996 ppm2 2.802
ASSI { 19452}
  (( segid "PROT" and resid 97  and name HG2  ))
  (( segid "PROT" and resid 97  and name HD1  ))
     6 6 0 peak 19452 weight  0.1000E+01 volume 74.97550 ppm1 1.626 ppm2 2.921
ASSI { 19462}
  (( segid "PROT" and resid 99  and name HE1  ))
  (( segid "PROT" and resid 94  and name HE1  ))
     6 6 0 peak 19462 weight  0.1000E+01 volume 1.88170 ppm1 7.025 ppm2 2.889
ASSI { 19472}
  (( segid "PROT" and resid 99  and name HD1  ))
  (( segid "PROT" and resid 94  and name HE1  ))
     6 6 0 peak 19472 weight  0.1000E+01 volume 6.10850 ppm1 7.129 ppm2 2.890
ASSI { 19482}
  (( segid "PROT" and resid 101  and name HE1  ))
  (( segid "PROT" and resid 100  and name HE1  ))
     6 6 0 peak 19482 weight  0.1000E+01 volume 5.81870 ppm1 7.332 ppm2 2.900
ASSI { 19492}
  (( segid "PROT" and resid 65  and name HD1  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 19492 weight  0.1000E+01 volume 1.99550 ppm1 1.549 ppm2 3.409
ASSI { 19502}
  (( segid "PROT" and resid 65  and name HB1  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 19502 weight  0.1000E+01 volume 16.58270 ppm1 1.973 ppm2 3.411
ASSI { 19512}
  (( segid "PROT" and resid 65  and name HG1  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 19512 weight  0.1000E+01 volume 8.20010 ppm1 1.863 ppm2 3.418
ASSI { 19522}
  (( segid "PROT" and resid 70  and name HG2  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 19522 weight  0.1000E+01 volume 5.06380 ppm1 2.210 ppm2 3.412
ASSI { 19532}
  (( segid "PROT" and resid 65  and name HA  ))
  (( segid "PROT" and resid 70  and name HB1  ))
     6 6 0 peak 19532 weight  0.1000E+01 volume 4.60140 ppm1 3.413 ppm2 1.993
ASSI { 19542}
  (( segid "PROT" and resid 65  and name HA  ))
  (( segid "PROT" and resid 70  and name HB2  ))
     6 6 0 peak 19542 weight  0.1000E+01 volume 4.71440 ppm1 3.415 ppm2 1.077
ASSI { 19552}
  (( segid "PROT" and resid 70  and name HA  ))
  (( segid "PROT" and resid 70  and name HB2  ))
     6 6 0 peak 19552 weight  0.1000E+01 volume 4.11810 ppm1 3.984 ppm2 1.093
ASSI { 19562}
  (( segid "PROT" and resid 70  and name HA  ))
  (( segid "PROT" and resid 70  and name HB1  ))
     6 6 0 peak 19562 weight  0.1000E+01 volume 38.04040 ppm1 3.989 ppm2 2.007
ASSI { 19572}
  (( segid "PROT" and resid 70  and name HB1  ))
  (( segid "PROT" and resid 70  and name HB2  ))
     6 6 0 peak 19572 weight  0.1000E+01 volume 8.45660 ppm1 1.988 ppm2 1.085
ASSI { 19582}
  (( segid "PROT" and resid 70  and name HG2  ))
  (( segid "PROT" and resid 70  and name HB2  ))
     6 6 0 peak 19582 weight  0.1000E+01 volume 5.21710 ppm1 2.208 ppm2 1.081
ASSI { 19592}
  (( segid "PROT" and resid 65  and name HA  ))
  (( segid "PROT" and resid 65  and name HG1  ))
     6 6 0 peak 19592 weight  0.1000E+01 volume 2.70530 ppm1 3.411 ppm2 1.863
ASSI { 19602}
  (( segid "PROT" and resid 40  and name HB1  ))
  (( segid "PROT" and resid 44  and name HD1#  ))
     6 6 0 peak 19602 weight  0.1000E+01 volume 6.50890 ppm1 2.958 ppm2 0.746
ASSI { 19612}
  (( segid "PROT" and resid 65  and name HG2  ))
  (( segid "PROT" and resid 65  and name HG1  ))
     6 6 0 peak 19612 weight  0.1000E+01 volume 3.03160 ppm1 0.746 ppm2 1.861
ASSI { 19622}
  (( segid "PROT" and resid 70  and name HB2  ))
  (( segid "PROT" and resid 65  and name HG1  ))
     6 6 0 peak 19622 weight  0.1000E+01 volume 3.27500 ppm1 1.132 ppm2 1.858
ASSI { 19632}
  (( segid "PROT" and resid 65  and name HA  ))
  (( segid "PROT" and resid 65  and name HB2  ))
     6 6 0 peak 19632 weight  0.1000E+01 volume 2.04820 ppm1 3.407 ppm2 0.565
ASSI { 19642}
  (( segid "PROT" and resid 65  and name HB1  ))
  (( segid "PROT" and resid 65  and name HB2  ))
     6 6 0 peak 19642 weight  0.1000E+01 volume 8.00290 ppm1 1.964 ppm2 0.575
ASSI { 19652}
  (( segid "PROT" and resid 65  and name HA  ))
  (( segid "PROT" and resid 70  and name HG1  ))
     6 6 0 peak 19652 weight  0.1000E+01 volume 16.14130 ppm1 3.414 ppm2 2.246
ASSI { 19662}
  (( segid "PROT" and resid 70  and name HB1  ))
  (( segid "PROT" and resid 70  and name HG1  ))
     6 6 0 peak 19662 weight  0.1000E+01 volume 19.68940 ppm1 1.994 ppm2 2.234
ASSI { 19672}
  (( segid "PROT" and resid 70  and name HB2  ))
  (( segid "PROT" and resid 70  and name HG1  ))
     6 6 0 peak 19672 weight  0.1000E+01 volume 27.45310 ppm1 1.088 ppm2 2.231
ASSI { 19682}
  (( segid "PROT" and resid 65  and name HG2  ))
  (( segid "PROT" and resid 70  and name HG1  ))
     6 6 0 peak 19682 weight  0.1000E+01 volume 6.20560 ppm1 0.737 ppm2 2.244
ASSI { 19692}
  (( segid "PROT" and resid 70  and name HA  ))
  (( segid "PROT" and resid 70  and name HG2  ))
     6 6 0 peak 19692 weight  0.1000E+01 volume 20.88980 ppm1 3.985 ppm2 2.210
ASSI { 19702}
  (( segid "PROT" and resid 104  and name HA  ))
  (( segid "PROT" and resid 104  and name HB1  ))
     6 6 0 peak 19702 weight  0.1000E+01 volume 20.26260 ppm1 4.242 ppm2 2.023
ASSI { 19712}
  (( segid "PROT" and resid 101  and name HA  ))
  (( segid "PROT" and resid 104  and name HB1  ))
     6 6 0 peak 19712 weight  0.1000E+01 volume 3.44200 ppm1 4.498 ppm2 2.035
ASSI { 19722}
  (( segid "PROT" and resid 104  and name HG2  ))
  (( segid "PROT" and resid 104  and name HB1  ))
     6 6 0 peak 19722 weight  0.1000E+01 volume 19.09130 ppm1 1.240 ppm2 2.030
ASSI { 19732}
  (( segid "PROT" and resid 104  and name HG1  ))
  (( segid "PROT" and resid 104  and name HB1  ))
     6 6 0 peak 19732 weight  0.1000E+01 volume 14.41510 ppm1 1.478 ppm2 2.039
ASSI { 19742}
  (( segid "PROT" and resid 34  and name HA  ))
  (( segid "PROT" and resid 34  and name HB2  ))
     6 6 0 peak 19742 weight  0.1000E+01 volume 10.28520 ppm1 4.357 ppm2 0.603
ASSI { 19752}
  (( segid "PROT" and resid 34  and name HA  ))
  (( segid "PROT" and resid 34  and name HB1  ))
     6 6 0 peak 19752 weight  0.1000E+01 volume 4.94240 ppm1 4.357 ppm2 2.101
ASSI { 19762}
  (( segid "PROT" and resid 34  and name HD1  ))
  (( segid "PROT" and resid 34  and name HB2  ))
     6 6 0 peak 19762 weight  0.1000E+01 volume 1.70600 ppm1 3.837 ppm2 0.613
ASSI { 19772}
  (( segid "PROT" and resid 34  and name HG2  ))
  (( segid "PROT" and resid 34  and name HB2  ))
     6 6 0 peak 19772 weight  0.1000E+01 volume 2.48510 ppm1 1.788 ppm2 0.590
ASSI { 19782}
  (( segid "PROT" and resid 34  and name HG1  ))
  (( segid "PROT" and resid 34  and name HB2  ))
     6 6 0 peak 19782 weight  0.1000E+01 volume 4.28960 ppm1 1.965 ppm2 0.603
ASSI { 19792}
  (( segid "PROT" and resid 34  and name HB1  ))
  (( segid "PROT" and resid 34  and name HB2  ))
     6 6 0 peak 19792 weight  0.1000E+01 volume 9.43860 ppm1 2.097 ppm2 0.610
ASSI { 19802}
  (( segid "PROT" and resid 34  and name HB2  ))
  (( segid "PROT" and resid 34  and name HB1  ))
     6 6 0 peak 19802 weight  0.1000E+01 volume 10.22790 ppm1 0.605 ppm2 2.101
ASSI { 19812}
  (( segid "PROT" and resid 19  and name HB1  ))
  (( segid "PROT" and resid 15  and name HA  ))
     6 6 0 peak 19812 weight  0.1000E+01 volume 3.08670 ppm1 2.212 ppm2 3.666
ASSI { 19822}
  (( segid "PROT" and resid 28  and name HG2  ))
  (( segid "PROT" and resid 28  and name HG1  ))
     6 6 0 peak 19822 weight  0.1000E+01 volume 21.15060 ppm1 2.042 ppm2 2.800
ASSI { 19832}
  (( segid "PROT" and resid 57  and name HE#  ))
  (( segid "PROT" and resid 57  and name HG1  ))
     6 6 0 peak 19832 weight  0.1000E+01 volume 5.25720 ppm1 1.989 ppm2 2.992
ASSI { 19842}
  (( segid "PROT" and resid 57  and name HB1  ))
  (( segid "PROT" and resid 57  and name HG1  ))
     6 6 0 peak 19842 weight  0.1000E+01 volume 2.66970 ppm1 2.178 ppm2 2.994
ASSI { 19852}
  (( segid "PROT" and resid 57  and name HB2  ))
  (( segid "PROT" and resid 57  and name HG1  ))
     6 6 0 peak 19852 weight  0.1000E+01 volume 3.20840 ppm1 1.253 ppm2 2.995
ASSI { 19862}
  (( segid "PROT" and resid 83  and name HD1#  ))
  (( segid "PROT" and resid 57  and name HG1  ))
     6 6 0 peak 19862 weight  0.1000E+01 volume 1.59590 ppm1 0.892 ppm2 3.011
ASSI { 19872}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 117  and name HG1  ))
     6 6 0 peak 19872 weight  0.1000E+01 volume 1.84360 ppm1 0.885 ppm2 2.586
ASSI { 19882}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 117  and name HG2  ))
     6 6 0 peak 19882 weight  0.1000E+01 volume 3.63690 ppm1 0.886 ppm2 2.511
ASSI { 19892}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 117  and name HG2  ))
     6 6 0 peak 19892 weight  0.1000E+01 volume 7.80890 ppm1 0.725 ppm2 2.511
ASSI { 19902}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 117  and name HG1  ))
     6 6 0 peak 19902 weight  0.1000E+01 volume 3.88130 ppm1 0.728 ppm2 2.590
ASSI { 19912}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 117  and name HG1  ))
     6 6 0 peak 19912 weight  0.1000E+01 volume 2.90680 ppm1 1.113 ppm2 2.588
ASSI { 19922}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 117  and name HG2  ))
     6 6 0 peak 19922 weight  0.1000E+01 volume 7.71720 ppm1 1.113 ppm2 2.515
ASSI { 19932}
  (( segid "PROT" and resid 113  and name HG11  ))
  (( segid "PROT" and resid 117  and name HG2  ))
     6 6 0 peak 19932 weight  0.1000E+01 volume 1.88010 ppm1 1.217 ppm2 2.513
ASSI { 19942}
  (( segid "PROT" and resid 113  and name HG11  ))
  (( segid "PROT" and resid 117  and name HG1  ))
     6 6 0 peak 19942 weight  0.1000E+01 volume 2.01510 ppm1 1.218 ppm2 2.592
ASSI { 19952}
  (( segid "PROT" and resid 117  and name HE#  ))
  (( segid "PROT" and resid 117  and name HG2  ))
     6 6 0 peak 19952 weight  0.1000E+01 volume 4.23830 ppm1 1.466 ppm2 2.509
ASSI { 19962}
  (( segid "PROT" and resid 117  and name HE#  ))
  (( segid "PROT" and resid 117  and name HG1  ))
     6 6 0 peak 19962 weight  0.1000E+01 volume 3.11460 ppm1 1.466 ppm2 2.594
ASSI { 19972}
  (( segid "PROT" and resid 117  and name HA  ))
  (( segid "PROT" and resid 117  and name HG2  ))
     6 6 0 peak 19972 weight  0.1000E+01 volume 2.15370 ppm1 4.309 ppm2 2.515
ASSI { 19982}
  (( segid "PROT" and resid 117  and name HA  ))
  (( segid "PROT" and resid 117  and name HG1  ))
     6 6 0 peak 19982 weight  0.1000E+01 volume 2.49440 ppm1 4.307 ppm2 2.602
ASSI { 19992}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 59  and name HA  ))
     6 6 0 peak 19992 weight  0.1000E+01 volume 3.51300 ppm1 0.235 ppm2 3.831
ASSI { 20002}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 59  and name HA  ))
     6 6 0 peak 20002 weight  0.1000E+01 volume 11.50100 ppm1 0.346 ppm2 3.831
ASSI { 20012}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 59  and name HA  ))
     6 6 0 peak 20012 weight  0.1000E+01 volume 10.71720 ppm1 0.581 ppm2 3.831
ASSI { 20022}
  (( segid "PROT" and resid 22  and name HD2#  ))
  (( segid "PROT" and resid 59  and name HA  ))
     6 6 0 peak 20022 weight  0.1000E+01 volume 6.66280 ppm1 1.098 ppm2 3.834
ASSI { 20032}
  (( segid "PROT" and resid 59  and name HG  ))
  (( segid "PROT" and resid 59  and name HA  ))
     6 6 0 peak 20032 weight  0.1000E+01 volume 1.76370 ppm1 1.550 ppm2 3.844
ASSI { 20042}
  (( segid "PROT" and resid 59  and name HB1  ))
  (( segid "PROT" and resid 59  and name HA  ))
     6 6 0 peak 20042 weight  0.1000E+01 volume 6.61690 ppm1 1.703 ppm2 3.836
ASSI { 20052}
  (( segid "PROT" and resid 59  and name HB2  ))
  (( segid "PROT" and resid 59  and name HA  ))
     6 6 0 peak 20052 weight  0.1000E+01 volume 5.02290 ppm1 1.351 ppm2 3.855
ASSI { 20062}
  (( segid "PROT" and resid 12  and name HB1  ))
  (( segid "PROT" and resid 12  and name HA  ))
     6 6 0 peak 20062 weight  0.1000E+01 volume 35.55720 ppm1 2.010 ppm2 4.148
ASSI { 20072}
  (( segid "PROT" and resid 9  and name HD1  ))
  (( segid "PROT" and resid 13  and name HG1  ))
     6 6 0 peak 20072 weight  0.1000E+01 volume 4.23910 ppm1 7.328 ppm2 2.350
ASSI { 20082}
  (( segid "PROT" and resid 13  and name HB2  ))
  (( segid "PROT" and resid 13  and name HG1  ))
     6 6 0 peak 20082 weight  0.1000E+01 volume 134.18800 ppm1 2.199 ppm2 2.340
ASSI { 20092}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 28  and name HG2  ))
     6 6 0 peak 20092 weight  0.1000E+01 volume 2.67780 ppm1 0.961 ppm2 2.034
ASSI { 20102}
  (( segid "PROT" and resid 104  and name HE1  ))
  (( segid "PROT" and resid 104  and name HD2  ))
     6 6 0 peak 20102 weight  0.1000E+01 volume 15.96820 ppm1 2.828 ppm2 1.629
ASSI { 20112}
  (( segid "PROT" and resid 104  and name HE1  ))
  (( segid "PROT" and resid 104  and name HD1  ))
     6 6 0 peak 20112 weight  0.1000E+01 volume 17.47490 ppm1 2.828 ppm2 1.799
ASSI { 20122}
  (( segid "PROT" and resid 28  and name HG1  ))
  (( segid "PROT" and resid 28  and name HA  ))
     6 6 0 peak 20122 weight  0.1000E+01 volume 8.71440 ppm1 2.809 ppm2 4.113
ASSI { 20132}
  (( segid "PROT" and resid 72  and name HB1  ))
  (( segid "PROT" and resid 72  and name HG1  ))
     6 6 0 peak 20132 weight  0.1000E+01 volume 111.20710 ppm1 2.259 ppm2 2.427
ASSI { 20142}
  (( segid "PROT" and resid 72  and name HB2  ))
  (( segid "PROT" and resid 72  and name HG1  ))
     6 6 0 peak 20142 weight  0.1000E+01 volume 43.31850 ppm1 2.126 ppm2 2.432
ASSI { 20152}
  (( segid "PROT" and resid 68  and name HB  ))
  (( segid "PROT" and resid 70  and name HG1  ))
     6 6 0 peak 20152 weight  0.1000E+01 volume 3.81010 ppm1 4.515 ppm2 2.247
ASSI { 20162}
  (( segid "PROT" and resid 42  and name HA  ))
  (( segid "PROT" and resid 42  and name HG1  ))
     6 6 0 peak 20162 weight  0.1000E+01 volume 19.08650 ppm1 4.017 ppm2 2.361
ASSI { 20172}
  (( segid "PROT" and resid 65  and name HB2  ))
  (( segid "PROT" and resid 70  and name HG1  ))
     6 6 0 peak 20172 weight  0.1000E+01 volume 4.52310 ppm1 0.561 ppm2 2.240
ASSI { 20182}
  (( segid "PROT" and resid 70  and name HB2  ))
  (( segid "PROT" and resid 70  and name HA  ))
     6 6 0 peak 20182 weight  0.1000E+01 volume 19.77020 ppm1 1.082 ppm2 3.982
ASSI { 20192}
  (( segid "PROT" and resid 65  and name HA  ))
  (( segid "PROT" and resid 70  and name HA  ))
     6 6 0 peak 20192 weight  0.1000E+01 volume 1.99250 ppm1 3.410 ppm2 3.988
ASSI { 20202}
  (( segid "PROT" and resid 42  and name HG1  ))
  (( segid "PROT" and resid 42  and name HA  ))
     6 6 0 peak 20202 weight  0.1000E+01 volume 10.95790 ppm1 2.356 ppm2 4.025
ASSI { 20212}
  (( segid "PROT" and resid 42  and name HB1  ))
  (( segid "PROT" and resid 42  and name HA  ))
     6 6 0 peak 20212 weight  0.1000E+01 volume 25.72450 ppm1 2.112 ppm2 4.022
ASSI { 20222}
  (( segid "PROT" and resid 42  and name HB1  ))
  (( segid "PROT" and resid 42  and name HG1  ))
     6 6 0 peak 20222 weight  0.1000E+01 volume 103.84960 ppm1 2.110 ppm2 2.363
ASSI { 20232}
  (( segid "PROT" and resid 42  and name HA  ))
  (( segid "PROT" and resid 42  and name HB1  ))
     6 6 0 peak 20232 weight  0.1000E+01 volume 31.75430 ppm1 4.017 ppm2 2.110
ASSI { 20242}
  (( segid "PROT" and resid 42  and name HG1  ))
  (( segid "PROT" and resid 42  and name HB1  ))
     6 6 0 peak 20242 weight  0.1000E+01 volume 39.78620 ppm1 2.353 ppm2 2.108
ASSI { 20252}
  (( segid "PROT" and resid 28  and name HG1  ))
  (( segid "PROT" and resid 28  and name HB1  ))
     6 6 0 peak 20252 weight  0.1000E+01 volume 9.97690 ppm1 2.800 ppm2 2.094
ASSI { 20262}
  (( segid "PROT" and resid 105  and name HG  ))
  (( segid "PROT" and resid 28  and name HB1  ))
     6 6 0 peak 20262 weight  0.1000E+01 volume 2.86560 ppm1 1.644 ppm2 2.099
ASSI { 20272}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 28  and name HB1  ))
     6 6 0 peak 20272 weight  0.1000E+01 volume 7.68450 ppm1 0.564 ppm2 2.088
ASSI { 20282}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 28  and name HB1  ))
     6 6 0 peak 20282 weight  0.1000E+01 volume 2.46940 ppm1 0.393 ppm2 2.099
ASSI { 20292}
  (( segid "PROT" and resid 23  and name HG1  ))
  (( segid "PROT" and resid 23  and name HG2  ))
     6 6 0 peak 20292 weight  0.1000E+01 volume 40.81340 ppm1 2.310 ppm2 2.113
ASSI { 20302}
  (( segid "PROT" and resid 111  and name HA  ))
  (( segid "PROT" and resid 111  and name HB2  ))
     6 6 0 peak 20302 weight  0.1000E+01 volume 33.45970 ppm1 4.112 ppm2 2.184
ASSI { 20312}
  (( segid "PROT" and resid 111  and name HA  ))
  (( segid "PROT" and resid 111  and name HB1  ))
     6 6 0 peak 20312 weight  0.1000E+01 volume 12.27780 ppm1 4.114 ppm2 2.268
ASSI { 20322}
  (( segid "PROT" and resid 111  and name HG1  ))
  (( segid "PROT" and resid 111  and name HB2  ))
     6 6 0 peak 20322 weight  0.1000E+01 volume 21.40060 ppm1 2.521 ppm2 2.178
ASSI { 20332}
  (( segid "PROT" and resid 111  and name HG2  ))
  (( segid "PROT" and resid 111  and name HB2  ))
     6 6 0 peak 20332 weight  0.1000E+01 volume 31.34030 ppm1 2.429 ppm2 2.173
ASSI { 20342}
  (( segid "PROT" and resid 111  and name HG2  ))
  (( segid "PROT" and resid 111  and name HB1  ))
     6 6 0 peak 20342 weight  0.1000E+01 volume 34.56130 ppm1 2.435 ppm2 2.277
ASSI { 20352}
  (( segid "PROT" and resid 111  and name HG1  ))
  (( segid "PROT" and resid 111  and name HB1  ))
     6 6 0 peak 20352 weight  0.1000E+01 volume 16.26040 ppm1 2.526 ppm2 2.270
ASSI { 20362}
  (( segid "PROT" and resid 115  and name HA  ))
  (( segid "PROT" and resid 118  and name HG2  ))
     6 6 0 peak 20362 weight  0.1000E+01 volume 6.24320 ppm1 4.267 ppm2 2.402
ASSI { 20372}
  (( segid "PROT" and resid 115  and name HA  ))
  (( segid "PROT" and resid 118  and name HG1  ))
     6 6 0 peak 20372 weight  0.1000E+01 volume 5.22500 ppm1 4.266 ppm2 2.504
ASSI { 20382}
  (( segid "PROT" and resid 111  and name HA  ))
  (( segid "PROT" and resid 111  and name HG1  ))
     6 6 0 peak 20382 weight  0.1000E+01 volume 12.21940 ppm1 4.113 ppm2 2.500
ASSI { 20392}
  (( segid "PROT" and resid 111  and name HA  ))
  (( segid "PROT" and resid 111  and name HG2  ))
     6 6 0 peak 20392 weight  0.1000E+01 volume 16.30980 ppm1 4.111 ppm2 2.416
ASSI { 20402}
  (( segid "PROT" and resid 111  and name HB2  ))
  (( segid "PROT" and resid 111  and name HG1  ))
     6 6 0 peak 20402 weight  0.1000E+01 volume 35.56980 ppm1 2.163 ppm2 2.501
ASSI { 20412}
  (( segid "PROT" and resid 111  and name HB1  ))
  (( segid "PROT" and resid 111  and name HG2  ))
     6 6 0 peak 20412 weight  0.1000E+01 volume 23.75150 ppm1 2.281 ppm2 2.433
ASSI { 20422}
  (( segid "PROT" and resid 57  and name HB2  ))
  (( segid "PROT" and resid 57  and name HE#  ))
     6 6 0 peak 20422 weight  0.1000E+01 volume 23.54430 ppm1 1.242 ppm2 1.988
ASSI { 20432}
  (( segid "PROT" and resid 57  and name HB1  ))
  (( segid "PROT" and resid 57  and name HE#  ))
     6 6 0 peak 20432 weight  0.1000E+01 volume 20.48710 ppm1 2.171 ppm2 1.980
ASSI { 20442}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 57  and name HG1  ))
     6 6 0 peak 20442 weight  0.1000E+01 volume 1.69410 ppm1 0.344 ppm2 2.993
ASSI { 20452}
  (( segid "PROT" and resid 83  and name HD1#  ))
  (( segid "PROT" and resid 57  and name HB2  ))
     6 6 0 peak 20452 weight  0.1000E+01 volume 0.90870 ppm1 0.889 ppm2 1.250
ASSI { 20462}
  (( segid "PROT" and resid 7  and name HG2  ))
  (( segid "PROT" and resid 7  and name HA  ))
     6 6 0 peak 20462 weight  0.1000E+01 volume 19.01050 ppm1 0.967 ppm2 4.236
ASSI { 20472}
  (( segid "PROT" and resid 7  and name HG1  ))
  (( segid "PROT" and resid 7  and name HA  ))
     6 6 0 peak 20472 weight  0.1000E+01 volume 10.59990 ppm1 1.098 ppm2 4.239
ASSI { 20482}
  (( segid "PROT" and resid 84  and name HB1  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 20482 weight  0.1000E+01 volume 10.59760 ppm1 2.208 ppm2 1.221
ASSI { 20492}
  (( segid "PROT" and resid 81  and name HA  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 20492 weight  0.1000E+01 volume 9.28400 ppm1 2.480 ppm2 1.222
ASSI { 20502}
  (( segid "PROT" and resid 84  and name HG2  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 20502 weight  0.1000E+01 volume 12.26600 ppm1 1.836 ppm2 1.223
ASSI { 20512}
  (( segid "PROT" and resid 59  and name HG  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 20512 weight  0.1000E+01 volume 6.47640 ppm1 1.552 ppm2 1.224
ASSI { 20522}
  (( segid "PROT" and resid 81  and name HB  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 20522 weight  0.1000E+01 volume 2.10330 ppm1 0.895 ppm2 1.221
ASSI { 20532}
  (( segid "PROT" and resid 59  and name HA  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 20532 weight  0.1000E+01 volume 2.57430 ppm1 3.844 ppm2 1.221
ASSI { 20542}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 20542 weight  0.1000E+01 volume 1.66760 ppm1 -1.498 ppm2 1.162
ASSI { 20552}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 20552 weight  0.1000E+01 volume 2.98280 ppm1 -0.258 ppm2 0.580
ASSI { 20562}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 108  and name HB  ))
     6 6 0 peak 20562 weight  0.1000E+01 volume 1.29630 ppm1 0.564 ppm2 2.157
ASSI { 20572}
  (( segid "PROT" and resid 46  and name HB  ))
  (( segid "PROT" and resid 46  and name HG11  ))
     6 6 0 peak 20572 weight  0.1000E+01 volume 1.80720 ppm1 2.331 ppm2 1.649
ASSI { 20582}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "PROT" and resid 46  and name HB  ))
     6 6 0 peak 20582 weight  0.1000E+01 volume 0.76780 ppm1 6.710 ppm2 2.265
ASSI { 20592}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 32  and name HA  ))
     6 6 0 peak 20592 weight  0.1000E+01 volume 1.52170 ppm1 0.237 ppm2 4.379
ASSI { 20602}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 32  and name HB2  ))
     6 6 0 peak 20602 weight  0.1000E+01 volume 2.15420 ppm1 0.233 ppm2 3.672
ASSI { 20612}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 32  and name HB1  ))
     6 6 0 peak 20612 weight  0.1000E+01 volume 1.61270 ppm1 0.396 ppm2 4.381
ASSI { 20622}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 32  and name HB1  ))
     6 6 0 peak 20622 weight  0.1000E+01 volume 3.47940 ppm1 0.571 ppm2 4.377
ASSI { 20632}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 32  and name HB2  ))
     6 6 0 peak 20632 weight  0.1000E+01 volume 2.66420 ppm1 0.567 ppm2 3.654
ASSI { 20642}
  (( segid "PROT" and resid 108  and name HG2#  ))
  (( segid "PROT" and resid 109  and name HA  ))
     6 6 0 peak 20642 weight  0.1000E+01 volume 9.88950 ppm1 0.893 ppm2 4.023
ASSI { 20652}
  (( segid "PROT" and resid 90  and name HD1#  ))
  (( segid "PROT" and resid 91  and name HA  ))
     6 6 0 peak 20652 weight  0.1000E+01 volume 22.45160 ppm1 0.991 ppm2 4.001
ASSI { 20662}
  (( segid "PROT" and resid 35  and name HD1  ))
  (( segid "PROT" and resid 32  and name HA  ))
     6 6 0 peak 20662 weight  0.1000E+01 volume 0.99290 ppm1 7.421 ppm2 4.350
ASSI { 20672}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 119  and name HB2  ))
     6 6 0 peak 20672 weight  0.1000E+01 volume 2.48160 ppm1 0.659 ppm2 4.002
ASSI { 20682}
  (( segid "PROT" and resid 116  and name HG2#  ))
  (( segid "PROT" and resid 119  and name HB2  ))
     6 6 0 peak 20682 weight  0.1000E+01 volume 2.20140 ppm1 0.775 ppm2 4.011
ASSI { 20692}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 119  and name HB2  ))
     6 6 0 peak 20692 weight  0.1000E+01 volume 2.50770 ppm1 1.035 ppm2 4.000
ASSI { 20702}
  (( segid "PROT" and resid 54  and name HG2  ))
  (( segid "PROT" and resid 54  and name HB1  ))
     6 6 0 peak 20702 weight  0.1000E+01 volume 6.36210 ppm1 1.362 ppm2 1.806
ASSI { 20712}
  (( segid "PROT" and resid 54  and name HG2  ))
  (( segid "PROT" and resid 54  and name HB2  ))
     6 6 0 peak 20712 weight  0.1000E+01 volume 14.28280 ppm1 1.360 ppm2 1.652
ASSI { 20722}
  (( segid "PROT" and resid 54  and name HG1  ))
  (( segid "PROT" and resid 54  and name HB2  ))
     6 6 0 peak 20722 weight  0.1000E+01 volume 26.53060 ppm1 1.449 ppm2 1.655
ASSI { 20732}
  (( segid "PROT" and resid 54  and name HG1  ))
  (( segid "PROT" and resid 54  and name HB1  ))
     6 6 0 peak 20732 weight  0.1000E+01 volume 14.46060 ppm1 1.449 ppm2 1.807
ASSI { 20742}
  (( segid "PROT" and resid 54  and name HB2  ))
  (( segid "PROT" and resid 54  and name HB1  ))
     6 6 0 peak 20742 weight  0.1000E+01 volume 23.27630 ppm1 1.645 ppm2 1.811
ASSI { 20752}
  (( segid "PROT" and resid 54  and name HB1  ))
  (( segid "PROT" and resid 54  and name HB2  ))
     6 6 0 peak 20752 weight  0.1000E+01 volume 30.01020 ppm1 1.809 ppm2 1.660
ASSI { 20762}
  (( segid "PROT" and resid 94  and name HG2  ))
  (( segid "PROT" and resid 94  and name HB2  ))
     6 6 0 peak 20762 weight  0.1000E+01 volume 38.12920 ppm1 1.059 ppm2 1.384
ASSI { 20772}
  (( segid "PROT" and resid 94  and name HG1  ))
  (( segid "PROT" and resid 94  and name HB2  ))
     6 6 0 peak 20772 weight  0.1000E+01 volume 24.37460 ppm1 1.173 ppm2 1.388
ASSI { 20782}
  (( segid "PROT" and resid 54  and name HA  ))
  (( segid "PROT" and resid 54  and name HB1  ))
     6 6 0 peak 20782 weight  0.1000E+01 volume 13.84010 ppm1 4.266 ppm2 1.819
ASSI { 20792}
  (( segid "PROT" and resid 54  and name HA  ))
  (( segid "PROT" and resid 54  and name HB2  ))
     6 6 0 peak 20792 weight  0.1000E+01 volume 25.48550 ppm1 4.264 ppm2 1.651
ASSI { 20802}
  (( segid "PROT" and resid 54  and name HD1  ))
  (( segid "PROT" and resid 54  and name HA  ))
     6 6 0 peak 20802 weight  0.1000E+01 volume 24.44370 ppm1 1.600 ppm2 4.243
ASSI { 20812}
  (( segid "PROT" and resid 54  and name HG1  ))
  (( segid "PROT" and resid 54  and name HA  ))
     6 6 0 peak 20812 weight  0.1000E+01 volume 19.56580 ppm1 1.451 ppm2 4.258
ASSI { 20822}
  (( segid "PROT" and resid 54  and name HA  ))
  (( segid "PROT" and resid 54  and name HG1  ))
     6 6 0 peak 20822 weight  0.1000E+01 volume 13.51840 ppm1 4.269 ppm2 1.452
ASSI { 20832}
  (( segid "PROT" and resid 54  and name HA  ))
  (( segid "PROT" and resid 54  and name HG2  ))
     6 6 0 peak 20832 weight  0.1000E+01 volume 34.34090 ppm1 4.267 ppm2 1.343
ASSI { 20842}
  (( segid "PROT" and resid 54  and name HB1  ))
  (( segid "PROT" and resid 54  and name HG1  ))
     6 6 0 peak 20842 weight  0.1000E+01 volume 22.61940 ppm1 1.810 ppm2 1.456
ASSI { 20852}
  (( segid "PROT" and resid 54  and name HB1  ))
  (( segid "PROT" and resid 54  and name HG2  ))
     6 6 0 peak 20852 weight  0.1000E+01 volume 21.78840 ppm1 1.813 ppm2 1.349
ASSI { 20862}
  (( segid "PROT" and resid 104  and name HE1  ))
  (( segid "PROT" and resid 104  and name HG1  ))
     6 6 0 peak 20862 weight  0.1000E+01 volume 15.16030 ppm1 2.827 ppm2 1.477
ASSI { 20872}
  (( segid "PROT" and resid 104  and name HE1  ))
  (( segid "PROT" and resid 104  and name HG2  ))
     6 6 0 peak 20872 weight  0.1000E+01 volume 19.28750 ppm1 2.827 ppm2 1.237
ASSI { 20882}
  (( segid "PROT" and resid 104  and name HB2  ))
  (( segid "PROT" and resid 104  and name HG2  ))
     6 6 0 peak 20882 weight  0.1000E+01 volume 7.73220 ppm1 2.008 ppm2 1.234
ASSI { 20892}
  (( segid "PROT" and resid 104  and name HB2  ))
  (( segid "PROT" and resid 104  and name HG1  ))
     6 6 0 peak 20892 weight  0.1000E+01 volume 3.90350 ppm1 2.007 ppm2 1.479
ASSI { 20922}
  (( segid "PROT" and resid 104  and name HG2  ))
  (( segid "PROT" and resid 104  and name HG1  ))
     6 6 0 peak 20922 weight  0.1000E+01 volume 31.79190 ppm1 1.237 ppm2 1.478
ASSI { 20932}
  (( segid "PROT" and resid 104  and name HG1  ))
  (( segid "PROT" and resid 104  and name HG2  ))
     6 6 0 peak 20932 weight  0.1000E+01 volume 49.49480 ppm1 1.476 ppm2 1.234
ASSI { 20942}
  (( segid "PROT" and resid 104  and name HA  ))
  (( segid "PROT" and resid 104  and name HG2  ))
     6 6 0 peak 20942 weight  0.1000E+01 volume 16.57860 ppm1 4.255 ppm2 1.237
ASSI { 20952}
  (( segid "PROT" and resid 54  and name HE1  ))
  (( segid "PROT" and resid 54  and name HG2  ))
     6 6 0 peak 20952 weight  0.1000E+01 volume 36.48490 ppm1 2.927 ppm2 1.348
ASSI { 20962}
  (( segid "PROT" and resid 54  and name HE1  ))
  (( segid "PROT" and resid 54  and name HD1  ))
     6 6 0 peak 20962 weight  0.1000E+01 volume 24.85590 ppm1 2.905 ppm2 1.565
ASSI { 20972}
  (( segid "PROT" and resid 54  and name HG1  ))
  (( segid "PROT" and resid 54  and name HD1  ))
     6 6 0 peak 20972 weight  0.1000E+01 volume 220.16789 ppm1 1.449 ppm2 1.565
ASSI { 20982}
  (( segid "PROT" and resid 54  and name HG2  ))
  (( segid "PROT" and resid 54  and name HD1  ))
     6 6 0 peak 20982 weight  0.1000E+01 volume 54.71470 ppm1 1.360 ppm2 1.557
ASSI { 20992}
  (( segid "PROT" and resid 54  and name HA  ))
  (( segid "PROT" and resid 54  and name HD1  ))
     6 6 0 peak 20992 weight  0.1000E+01 volume 31.14120 ppm1 4.263 ppm2 1.584
ASSI { 21002}
  (( segid "PROT" and resid 54  and name HG2  ))
  (( segid "PROT" and resid 54  and name HE1  ))
     6 6 0 peak 21002 weight  0.1000E+01 volume 3.12540 ppm1 1.357 ppm2 2.925
ASSI { 21012}
  (( segid "PROT" and resid 54  and name HG1  ))
  (( segid "PROT" and resid 54  and name HE1  ))
     6 6 0 peak 21012 weight  0.1000E+01 volume 11.88990 ppm1 1.452 ppm2 2.928
ASSI { 21022}
  (( segid "PROT" and resid 65  and name HA  ))
  (( segid "PROT" and resid 65  and name HD2  ))
     6 6 0 peak 21022 weight  0.1000E+01 volume 1.64700 ppm1 3.415 ppm2 1.348
ASSI { 21032}
  (( segid "PROT" and resid 65  and name HA  ))
  (( segid "PROT" and resid 65  and name HE1  ))
     6 6 0 peak 21032 weight  0.1000E+01 volume 2.62250 ppm1 3.417 ppm2 2.384
ASSI { 21042}
  (( segid "PROT" and resid 65  and name HB1  ))
  (( segid "PROT" and resid 65  and name HE1  ))
     6 6 0 peak 21042 weight  0.1000E+01 volume 16.29060 ppm1 1.983 ppm2 2.377
ASSI { 21052}
  (( segid "PROT" and resid 65  and name HG1  ))
  (( segid "PROT" and resid 65  and name HE1  ))
     6 6 0 peak 21052 weight  0.1000E+01 volume 11.64060 ppm1 1.870 ppm2 2.370
ASSI { 21062}
  (( segid "PROT" and resid 65  and name HE1  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 21062 weight  0.1000E+01 volume 1.26720 ppm1 2.349 ppm2 3.416
ASSI { 21072}
  (( segid "PROT" and resid 65  and name HE1  ))
  (( segid "PROT" and resid 65  and name HD1  ))
     6 6 0 peak 21072 weight  0.1000E+01 volume 2.08960 ppm1 2.396 ppm2 1.543
ASSI { 21082}
  (( segid "PROT" and resid 65  and name HE1  ))
  (( segid "PROT" and resid 65  and name HD2  ))
     6 6 0 peak 21082 weight  0.1000E+01 volume 4.69970 ppm1 2.393 ppm2 1.343
ASSI { 21092}
  (( segid "PROT" and resid 65  and name HD1  ))
  (( segid "PROT" and resid 65  and name HG1  ))
     6 6 0 peak 21092 weight  0.1000E+01 volume 4.69980 ppm1 1.561 ppm2 1.857
ASSI { 21102}
  (( segid "PROT" and resid 7  and name HE1  ))
  (( segid "PROT" and resid 7  and name HD1  ))
     6 6 0 peak 21102 weight  0.1000E+01 volume 31.35630 ppm1 2.680 ppm2 1.507
ASSI { 21112}
  (( segid "PROT" and resid 94  and name HE1  ))
  (( segid "PROT" and resid 94  and name HG2  ))
     6 6 0 peak 21112 weight  0.1000E+01 volume 26.91530 ppm1 2.883 ppm2 1.053
ASSI { 21122}
  (( segid "PROT" and resid 94  and name HE1  ))
  (( segid "PROT" and resid 94  and name HG1  ))
     6 6 0 peak 21122 weight  0.1000E+01 volume 16.87280 ppm1 2.888 ppm2 1.170
ASSI { 21132}
  (( segid "PROT" and resid 63  and name HE1  ))
  (( segid "PROT" and resid 63  and name HG2  ))
     6 6 0 peak 21132 weight  0.1000E+01 volume 7.78470 ppm1 2.800 ppm2 1.188
ASSI { 21142}
  (( segid "PROT" and resid 63  and name HE1  ))
  (( segid "PROT" and resid 63  and name HG1  ))
     6 6 0 peak 21142 weight  0.1000E+01 volume 14.84500 ppm1 2.801 ppm2 1.459
ASSI { 21152}
  (( segid "PROT" and resid 100  and name HE1  ))
  (( segid "PROT" and resid 100  and name HG2  ))
     6 6 0 peak 21152 weight  0.1000E+01 volume 6.86000 ppm1 2.929 ppm2 1.602
ASSI { 21162}
  (( segid "PROT" and resid 100  and name HE1  ))
  (( segid "PROT" and resid 100  and name HG1  ))
     6 6 0 peak 21162 weight  0.1000E+01 volume 19.89920 ppm1 2.926 ppm2 1.707
ASSI { 21172}
  (( segid "PROT" and resid 10  and name HE1  ))
  (( segid "PROT" and resid 10  and name HG2  ))
     6 6 0 peak 21172 weight  0.1000E+01 volume 13.44190 ppm1 3.011 ppm2 1.551
ASSI { 21182}
  (( segid "PROT" and resid 10  and name HE1  ))
  (( segid "PROT" and resid 10  and name HG1  ))
     6 6 0 peak 21182 weight  0.1000E+01 volume 6.71870 ppm1 3.011 ppm2 1.649
ASSI { 21192}
  (( segid "PROT" and resid 104  and name HA  ))
  (( segid "PROT" and resid 104  and name HD1  ))
     6 6 0 peak 21192 weight  0.1000E+01 volume 29.91790 ppm1 4.244 ppm2 1.796
ASSI { 21202}
  (( segid "PROT" and resid 94  and name HA  ))
  (( segid "PROT" and resid 94  and name HG1  ))
     6 6 0 peak 21202 weight  0.1000E+01 volume 4.96300 ppm1 2.178 ppm2 1.168
ASSI { 21212}
  (( segid "PROT" and resid 94  and name HA  ))
  (( segid "PROT" and resid 94  and name HG2  ))
     6 6 0 peak 21212 weight  0.1000E+01 volume 9.57620 ppm1 2.178 ppm2 1.055
ASSI { 21222}
  (( segid "PROT" and resid 63  and name HG2  ))
  (( segid "PROT" and resid 63  and name HB1  ))
     6 6 0 peak 21222 weight  0.1000E+01 volume 4.37580 ppm1 1.195 ppm2 1.982
ASSI { 21232}
  (( segid "PROT" and resid 61  and name HG2#  ))
  (( segid "PROT" and resid 63  and name HB1  ))
     6 6 0 peak 21232 weight  0.1000E+01 volume 11.67730 ppm1 1.093 ppm2 1.993
ASSI { 21242}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 63  and name HB1  ))
     6 6 0 peak 21242 weight  0.1000E+01 volume 1.11760 ppm1 6.608 ppm2 2.001
ASSI { 21252}
  (( segid "PROT" and resid 63  and name HB1  ))
  (( segid "PROT" and resid 63  and name HG2  ))
     6 6 0 peak 21252 weight  0.1000E+01 volume 14.17180 ppm1 1.993 ppm2 1.194
ASSI { 21262}
  (( segid "PROT" and resid 63  and name HG2  ))
  (( segid "PROT" and resid 63  and name HG1  ))
     6 6 0 peak 21262 weight  0.1000E+01 volume 16.66970 ppm1 1.188 ppm2 1.469
ASSI { 21272}
  (( segid "PROT" and resid 63  and name HB1  ))
  (( segid "PROT" and resid 63  and name HG1  ))
     6 6 0 peak 21272 weight  0.1000E+01 volume 15.74350 ppm1 1.995 ppm2 1.461
ASSI { 21282}
  (( segid "PROT" and resid 22  and name HD1#  ))
  (( segid "PROT" and resid 63  and name HG1  ))
     6 6 0 peak 21282 weight  0.1000E+01 volume 11.56050 ppm1 1.093 ppm2 1.469
ASSI { 21292}
  (( segid "PROT" and resid 63  and name HE1  ))
  (( segid "PROT" and resid 63  and name HD1  ))
     6 6 0 peak 21292 weight  0.1000E+01 volume 33.01240 ppm1 2.797 ppm2 1.469
ASSI { 21302}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 63  and name HD1  ))
     6 6 0 peak 21302 weight  0.1000E+01 volume 10.91600 ppm1 3.693 ppm2 1.471
ASSI { 21312}
  (( segid "PROT" and resid 65  and name HD1  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 21312 weight  0.1000E+01 volume 18.31860 ppm1 1.552 ppm2 1.142
ASSI { 21322}
  (( segid "PROT" and resid 65  and name HG1  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 21322 weight  0.1000E+01 volume 20.56410 ppm1 1.881 ppm2 1.137
ASSI { 21332}
  (( segid "PROT" and resid 11  and name HD2  ))
  (( segid "PROT" and resid 10  and name HB2  ))
     6 6 0 peak 21332 weight  0.1000E+01 volume 2.51530 ppm1 3.898 ppm2 1.672
ASSI { 21342}
  (( segid "PROT" and resid 11  and name HD1  ))
  (( segid "PROT" and resid 10  and name HB2  ))
     6 6 0 peak 21342 weight  0.1000E+01 volume 2.10790 ppm1 3.996 ppm2 1.687
ASSI { 21352}
  (( segid "PROT" and resid 10  and name HB2  ))
  (( segid "PROT" and resid 10  and name HB1  ))
     6 6 0 peak 21352 weight  0.1000E+01 volume 46.87550 ppm1 1.664 ppm2 2.160
ASSI { 21362}
  (( segid "PROT" and resid 10  and name HB1  ))
  (( segid "PROT" and resid 10  and name HB2  ))
     6 6 0 peak 21362 weight  0.1000E+01 volume 22.64720 ppm1 2.167 ppm2 1.671
ASSI { 21372}
  (( segid "PROT" and resid 10  and name HA  ))
  (( segid "PROT" and resid 10  and name HB2  ))
     6 6 0 peak 21372 weight  0.1000E+01 volume 7.27630 ppm1 4.682 ppm2 1.663
ASSI { 21382}
  (( segid "PROT" and resid 11  and name HD2  ))
  (( segid "PROT" and resid 10  and name HG1  ))
     6 6 0 peak 21382 weight  0.1000E+01 volume 2.80650 ppm1 3.900 ppm2 1.653
ASSI { 21392}
  (( segid "PROT" and resid 11  and name HD1  ))
  (( segid "PROT" and resid 10  and name HG1  ))
     6 6 0 peak 21392 weight  0.1000E+01 volume 2.93550 ppm1 3.984 ppm2 1.655
ASSI { 21402}
  (( segid "PROT" and resid 11  and name HD1  ))
  (( segid "PROT" and resid 10  and name HG2  ))
     6 6 0 peak 21402 weight  0.1000E+01 volume 3.49560 ppm1 3.990 ppm2 1.537
ASSI { 21412}
  (( segid "PROT" and resid 11  and name HD2  ))
  (( segid "PROT" and resid 10  and name HG2  ))
     6 6 0 peak 21412 weight  0.1000E+01 volume 3.38300 ppm1 3.903 ppm2 1.549
ASSI { 21422}
  (( segid "PROT" and resid 10  and name HB1  ))
  (( segid "PROT" and resid 10  and name HG1  ))
     6 6 0 peak 21422 weight  0.1000E+01 volume 8.89430 ppm1 2.165 ppm2 1.655
ASSI { 21432}
  (( segid "PROT" and resid 10  and name HB1  ))
  (( segid "PROT" and resid 10  and name HG2  ))
     6 6 0 peak 21432 weight  0.1000E+01 volume 11.05460 ppm1 2.166 ppm2 1.546
ASSI { 21442}
  (( segid "PROT" and resid 10  and name HA  ))
  (( segid "PROT" and resid 10  and name HD1  ))
     6 6 0 peak 21442 weight  0.1000E+01 volume 12.45810 ppm1 4.679 ppm2 1.761
ASSI { 21452}
  (( segid "PROT" and resid 10  and name HB1  ))
  (( segid "PROT" and resid 10  and name HE1  ))
     6 6 0 peak 21452 weight  0.1000E+01 volume 9.34000 ppm1 2.168 ppm2 3.000
ASSI { 21462}
  (( segid "PROT" and resid 10  and name HD1  ))
  (( segid "PROT" and resid 10  and name HE1  ))
     6 6 0 peak 21462 weight  0.1000E+01 volume 23.34620 ppm1 1.770 ppm2 3.000
ASSI { 21472}
  (( segid "PROT" and resid 10  and name HG1  ))
  (( segid "PROT" and resid 10  and name HE1  ))
     6 6 0 peak 21472 weight  0.1000E+01 volume 57.75720 ppm1 1.693 ppm2 3.002
ASSI { 21482}
  (( segid "PROT" and resid 6  and name HG2  ))
  (( segid "PROT" and resid 6  and name HD1  ))
     6 6 0 peak 21482 weight  0.1000E+01 volume 29.09000 ppm1 1.300 ppm2 1.645
ASSI { 21492}
  (( segid "PROT" and resid 6  and name HG1  ))
  (( segid "PROT" and resid 6  and name HD1  ))
     6 6 0 peak 21492 weight  0.1000E+01 volume 44.03220 ppm1 1.392 ppm2 1.644
ASSI { 21502}
  (( segid "PROT" and resid 6  and name HA  ))
  (( segid "PROT" and resid 6  and name HD1  ))
     6 6 0 peak 21502 weight  0.1000E+01 volume 6.36980 ppm1 4.274 ppm2 1.650
ASSI { 21512}
  (( segid "PROT" and resid 6  and name HA  ))
  (( segid "PROT" and resid 6  and name HG1  ))
     6 6 0 peak 21512 weight  0.1000E+01 volume 10.63830 ppm1 4.272 ppm2 1.388
ASSI { 21522}
  (( segid "PROT" and resid 6  and name HA  ))
  (( segid "PROT" and resid 6  and name HG2  ))
     6 6 0 peak 21522 weight  0.1000E+01 volume 6.56490 ppm1 4.272 ppm2 1.302
ASSI { 21532}
  (( segid "PROT" and resid 6  and name HG2  ))
  (( segid "PROT" and resid 6  and name HE1  ))
     6 6 0 peak 21532 weight  0.1000E+01 volume 14.09550 ppm1 1.296 ppm2 2.921
ASSI { 21542}
  (( segid "PROT" and resid 6  and name HG2  ))
  (( segid "PROT" and resid 6  and name HA  ))
     6 6 0 peak 21542 weight  0.1000E+01 volume 16.91250 ppm1 1.301 ppm2 4.273
ASSI { 21552}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 7  and name HD1  ))
     6 6 0 peak 21552 weight  0.1000E+01 volume 9.69630 ppm1 7.388 ppm2 1.505
ASSI { 21562}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 63  and name HD1  ))
     6 6 0 peak 21562 weight  0.1000E+01 volume 4.53750 ppm1 6.609 ppm2 1.469
ASSI { 21572}
  (( segid "PROT" and resid 7  and name HG2  ))
  (( segid "PROT" and resid 7  and name HD1  ))
     6 6 0 peak 21572 weight  0.1000E+01 volume 15.61500 ppm1 0.964 ppm2 1.498
ASSI { 21582}
  (( segid "PROT" and resid 7  and name HA  ))
  (( segid "PROT" and resid 7  and name HG2  ))
     6 6 0 peak 21582 weight  0.1000E+01 volume 14.62150 ppm1 4.238 ppm2 0.961
ASSI { 21592}
  (( segid "PROT" and resid 7  and name HD1  ))
  (( segid "PROT" and resid 7  and name HE1  ))
     6 6 0 peak 21592 weight  0.1000E+01 volume 35.33140 ppm1 1.511 ppm2 2.675
ASSI { 21602}
  (( segid "PROT" and resid 7  and name HB1  ))
  (( segid "PROT" and resid 7  and name HE1  ))
     6 6 0 peak 21602 weight  0.1000E+01 volume 10.85290 ppm1 1.608 ppm2 2.680
ASSI { 21612}
  (( segid "PROT" and resid 7  and name HG1  ))
  (( segid "PROT" and resid 7  and name HE1  ))
     6 6 0 peak 21612 weight  0.1000E+01 volume 19.67660 ppm1 1.095 ppm2 2.682
ASSI { 21622}
  (( segid "PROT" and resid 7  and name HG2  ))
  (( segid "PROT" and resid 7  and name HE1  ))
     6 6 0 peak 21622 weight  0.1000E+01 volume 24.81490 ppm1 0.967 ppm2 2.673
ASSI { 21632}
  (( segid "PROT" and resid 7  and name HA  ))
  (( segid "PROT" and resid 7  and name HE1  ))
     6 6 0 peak 21632 weight  0.1000E+01 volume 4.63970 ppm1 4.238 ppm2 2.684
ASSI { 21642}
  (( segid "PROT" and resid 9  and name HA  ))
  (( segid "PROT" and resid 7  and name HE1  ))
     6 6 0 peak 21642 weight  0.1000E+01 volume 5.72450 ppm1 4.651 ppm2 2.680
ASSI { 21652}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 7  and name HE1  ))
     6 6 0 peak 21652 weight  0.1000E+01 volume 9.17220 ppm1 7.392 ppm2 2.680
ASSI { 21662}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 7  and name HG2  ))
     6 6 0 peak 21662 weight  0.1000E+01 volume 2.20720 ppm1 7.384 ppm2 0.963
ASSI { 21672}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 7  and name HA  ))
     6 6 0 peak 21672 weight  0.1000E+01 volume 3.47630 ppm1 7.395 ppm2 4.243
ASSI { 21682}
  (( segid "PROT" and resid 94  and name HE1  ))
  (( segid "PROT" and resid 94  and name HD1  ))
     6 6 0 peak 21682 weight  0.1000E+01 volume 51.77930 ppm1 2.883 ppm2 1.507
ASSI { 21692}
  (( segid "PROT" and resid 93  and name HA  ))
  (( segid "PROT" and resid 93  and name HB2  ))
     6 6 0 peak 21692 weight  0.1000E+01 volume 9.60730 ppm1 4.310 ppm2 1.714
ASSI { 21702}
  (( segid "PROT" and resid 99  and name HD1  ))
  (( segid "PROT" and resid 94  and name HA  ))
     6 6 0 peak 21702 weight  0.1000E+01 volume 5.03290 ppm1 7.125 ppm2 2.179
ASSI { 21712}
  (( segid "PROT" and resid 99  and name HB1  ))
  (( segid "PROT" and resid 94  and name HA  ))
     6 6 0 peak 21712 weight  0.1000E+01 volume 1.74920 ppm1 3.408 ppm2 2.175
ASSI { 21722}
  (( segid "PROT" and resid 31  and name HG2  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 21722 weight  0.1000E+01 volume 4.56830 ppm1 1.582 ppm2 2.589
ASSI { 21732}
  (( segid "PROT" and resid 31  and name HG1  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 21732 weight  0.1000E+01 volume 2.89160 ppm1 2.304 ppm2 2.589
ASSI { 21742}
  (( segid "PROT" and resid 28  and name HB2  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 21742 weight  0.1000E+01 volume 2.05660 ppm1 2.053 ppm2 2.591
ASSI { 21752}
  (( segid "PROT" and resid 101  and name HB1  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 21752 weight  0.1000E+01 volume 2.47500 ppm1 3.921 ppm2 2.587
ASSI { 21762}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 21762 weight  0.1000E+01 volume 2.93570 ppm1 7.100 ppm2 2.581
ASSI { 21772}
  (( segid "PROT" and resid 94  and name HG2  ))
  (( segid "PROT" and resid 94  and name HD1  ))
     6 6 0 peak 21772 weight  0.1000E+01 volume 99.27350 ppm1 1.088 ppm2 1.495
ASSI { 21782}
  (( segid "PROT" and resid 94  and name HG1  ))
  (( segid "PROT" and resid 94  and name HD1  ))
     6 6 0 peak 21782 weight  0.1000E+01 volume 81.66110 ppm1 1.174 ppm2 1.489
ASSI { 21792}
  (( segid "PROT" and resid 94  and name HA  ))
  (( segid "PROT" and resid 94  and name HD1  ))
     6 6 0 peak 21792 weight  0.1000E+01 volume 12.65290 ppm1 2.175 ppm2 1.504
ASSI { 21802}
  (( segid "PROT" and resid 94  and name HB2  ))
  (( segid "PROT" and resid 94  and name HG2  ))
     6 6 0 peak 21802 weight  0.1000E+01 volume 23.37480 ppm1 1.369 ppm2 1.057
ASSI { 21812}
  (( segid "PROT" and resid 94  and name HB1  ))
  (( segid "PROT" and resid 94  and name HG2  ))
     6 6 0 peak 21812 weight  0.1000E+01 volume 34.68000 ppm1 1.436 ppm2 1.063
ASSI { 21822}
  (( segid "PROT" and resid 94  and name HB2  ))
  (( segid "PROT" and resid 94  and name HG1  ))
     6 6 0 peak 21822 weight  0.1000E+01 volume 32.99570 ppm1 1.371 ppm2 1.176
ASSI { 21832}
  (( segid "PROT" and resid 63  and name HG1  ))
  (( segid "PROT" and resid 63  and name HG2  ))
     6 6 0 peak 21832 weight  0.1000E+01 volume 101.89410 ppm1 1.471 ppm2 1.186
ASSI { 21842}
  (( segid "PROT" and resid 94  and name HD1  ))
  (( segid "PROT" and resid 94  and name HG2  ))
     6 6 0 peak 21842 weight  0.1000E+01 volume 25.87990 ppm1 1.502 ppm2 1.063
ASSI { 21852}
  (( segid "PROT" and resid 94  and name HG2  ))
  (( segid "PROT" and resid 94  and name HE1  ))
     6 6 0 peak 21852 weight  0.1000E+01 volume 44.46470 ppm1 1.060 ppm2 2.878
ASSI { 21862}
  (( segid "PROT" and resid 94  and name HG1  ))
  (( segid "PROT" and resid 94  and name HE1  ))
     6 6 0 peak 21862 weight  0.1000E+01 volume 41.76160 ppm1 1.170 ppm2 2.879
ASSI { 21872}
  (( segid "PROT" and resid 89  and name HB2  ))
  (( segid "PROT" and resid 89  and name HA  ))
     6 6 0 peak 21872 weight  0.1000E+01 volume 0.58110 ppm1 3.121 ppm2 4.815
ASSI { 21882}
  (( segid "PROT" and resid 64  and name HA  ))
  (( segid "PROT" and resid 64  and name HD1  ))
     6 6 0 peak 21882 weight  0.1000E+01 volume 5.95670 ppm1 4.170 ppm2 3.204
ASSI { 21892}
  (( segid "PROT" and resid 93  and name HA  ))
  (( segid "PROT" and resid 93  and name HD1  ))
     6 6 0 peak 21892 weight  0.1000E+01 volume 8.19650 ppm1 4.309 ppm2 3.172
ASSI { 21902}
  (( segid "PROT" and resid 6  and name HB1  ))
  (( segid "PROT" and resid 6  and name HA  ))
     6 6 0 peak 21902 weight  0.1000E+01 volume 62.48950 ppm1 1.781 ppm2 4.275
ASSI { 21912}
  (( segid "PROT" and resid 92  and name HA  ))
  (( segid "PROT" and resid 92  and name HB2  ))
     6 6 0 peak 21912 weight  0.1000E+01 volume 5.64800 ppm1 4.651 ppm2 2.859
ASSI { 21922}
  (( segid "PROT" and resid 93  and name HD1  ))
  (( segid "PROT" and resid 93  and name HB2  ))
     6 6 0 peak 21922 weight  0.1000E+01 volume 11.64070 ppm1 3.167 ppm2 1.722
ASSI { 21932}
  (( segid "PROT" and resid 93  and name HD1  ))
  (( segid "PROT" and resid 93  and name HB1  ))
     6 6 0 peak 21932 weight  0.1000E+01 volume 13.97840 ppm1 3.171 ppm2 1.896
ASSI { 21942}
  (( segid "PROT" and resid 93  and name HD1  ))
  (( segid "PROT" and resid 93  and name HG1  ))
     6 6 0 peak 21942 weight  0.1000E+01 volume 39.80640 ppm1 3.178 ppm2 1.725
ASSI { 21952}
  (( segid "PROT" and resid 93  and name HA  ))
  (( segid "PROT" and resid 93  and name HG1  ))
     6 6 0 peak 21952 weight  0.1000E+01 volume 11.98250 ppm1 4.304 ppm2 1.741
ASSI { 21962}
  (( segid "PROT" and resid 93  and name HG1  ))
  (( segid "PROT" and resid 93  and name HD1  ))
     6 6 0 peak 21962 weight  0.1000E+01 volume 57.03720 ppm1 1.738 ppm2 3.169
ASSI { 21972}
  (( segid "PROT" and resid 5  and name HB1  ))
  (( segid "PROT" and resid 5  and name HA  ))
     6 6 0 peak 21972 weight  0.1000E+01 volume 20.36760 ppm1 1.832 ppm2 4.314
ASSI { 21982}
  (( segid "PROT" and resid 94  and name HE1  ))
  (( segid "PROT" and resid 95  and name HA  ))
     6 6 0 peak 21982 weight  0.1000E+01 volume 13.07080 ppm1 2.921 ppm2 4.102
ASSI { 21992}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 100  and name HG1  ))
     6 6 0 peak 21992 weight  0.1000E+01 volume 2.58550 ppm1 7.126 ppm2 1.709
ASSI { 22002}
  (( segid "PROT" and resid 100  and name HA  ))
  (( segid "PROT" and resid 100  and name HG2  ))
     6 6 0 peak 22002 weight  0.1000E+01 volume 15.28410 ppm1 4.323 ppm2 1.594
ASSI { 22012}
  (( segid "PROT" and resid 100  and name HA  ))
  (( segid "PROT" and resid 100  and name HG1  ))
     6 6 0 peak 22012 weight  0.1000E+01 volume 3.33820 ppm1 4.323 ppm2 1.705
ASSI { 22022}
  (( segid "PROT" and resid 100  and name HB1  ))
  (( segid "PROT" and resid 100  and name HG1  ))
     6 6 0 peak 22022 weight  0.1000E+01 volume 22.48510 ppm1 2.036 ppm2 1.698
ASSI { 22032}
  (( segid "PROT" and resid 100  and name HB1  ))
  (( segid "PROT" and resid 100  and name HG2  ))
     6 6 0 peak 22032 weight  0.1000E+01 volume 29.73720 ppm1 2.037 ppm2 1.602
ASSI { 22042}
  (( segid "PROT" and resid 100  and name HE1  ))
  (( segid "PROT" and resid 100  and name HB1  ))
     6 6 0 peak 22042 weight  0.1000E+01 volume 4.66540 ppm1 2.921 ppm2 2.032
ASSI { 22052}
  (( segid "PROT" and resid 99  and name HD1  ))
  (( segid "PROT" and resid 99  and name HA  ))
     6 6 0 peak 22052 weight  0.1000E+01 volume 3.50450 ppm1 7.128 ppm2 3.783
ASSI { 22062}
  (( segid "PROT" and resid 13  and name HA  ))
  (( segid "PROT" and resid 13  and name HB2  ))
     6 6 0 peak 22062 weight  0.1000E+01 volume 67.98270 ppm1 4.131 ppm2 2.216
ASSI { 22072}
  (( segid "PROT" and resid 114  and name HA  ))
  (( segid "PROT" and resid 117  and name HB1  ))
     6 6 0 peak 22072 weight  0.1000E+01 volume 3.79580 ppm1 4.552 ppm2 2.212
ASSI { 22082}
  (( segid "PROT" and resid 114  and name HA  ))
  (( segid "PROT" and resid 117  and name HB2  ))
     6 6 0 peak 22082 weight  0.1000E+01 volume 1.40010 ppm1 4.554 ppm2 1.982
ASSI { 22092}
  (( segid "PROT" and resid 62  and name HG2#  ))
  (( segid "PROT" and resid 59  and name HA  ))
     6 6 0 peak 22092 weight  0.1000E+01 volume 3.55600 ppm1 1.190 ppm2 3.827
ASSI { 22102}
  (( segid "PROT" and resid 64  and name HG1  ))
  (( segid "PROT" and resid 64  and name HA  ))
     6 6 0 peak 22102 weight  0.1000E+01 volume 8.39300 ppm1 1.669 ppm2 4.165
ASSI { 22112}
  (( segid "PROT" and resid 34  and name HG2  ))
  (( segid "PROT" and resid 34  and name HA  ))
     6 6 0 peak 22112 weight  0.1000E+01 volume 2.24370 ppm1 1.792 ppm2 4.359
ASSI { 22122}
  (( segid "PROT" and resid 34  and name HD1  ))
  (( segid "PROT" and resid 34  and name HA  ))
     6 6 0 peak 22122 weight  0.1000E+01 volume 2.16670 ppm1 3.825 ppm2 4.359
ASSI { 22132}
  (( segid "PROT" and resid 34  and name HA  ))
  (( segid "PROT" and resid 34  and name HD1  ))
     6 6 0 peak 22132 weight  0.1000E+01 volume 1.72360 ppm1 4.362 ppm2 3.832
ASSI { 22142}
  (( segid "PROT" and resid 36  and name HN  ))
  (( segid "PROT" and resid 34  and name HD1  ))
     6 6 0 peak 22142 weight  0.1000E+01 volume 1.56410 ppm1 7.095 ppm2 3.804
ASSI { 22152}
  (( segid "PROT" and resid 35  and name HD1  ))
  (( segid "PROT" and resid 34  and name HD1  ))
     6 6 0 peak 22152 weight  0.1000E+01 volume 3.00390 ppm1 7.384 ppm2 3.800
ASSI { 22162}
  (( segid "PROT" and resid 33  and name HB2  ))
  (( segid "PROT" and resid 34  and name HD1  ))
     6 6 0 peak 22162 weight  0.1000E+01 volume 3.71080 ppm1 1.588 ppm2 3.809
ASSI { 22172}
  (( segid "PROT" and resid 34  and name HG2  ))
  (( segid "PROT" and resid 34  and name HD1  ))
     6 6 0 peak 22172 weight  0.1000E+01 volume 5.83610 ppm1 1.789 ppm2 3.808
ASSI { 22182}
  (( segid "PROT" and resid 34  and name HB2  ))
  (( segid "PROT" and resid 34  and name HD1  ))
     6 6 0 peak 22182 weight  0.1000E+01 volume 3.30250 ppm1 0.612 ppm2 3.805
ASSI { 22192}
  (( segid "PROT" and resid 34  and name HD1  ))
  (( segid "PROT" and resid 34  and name HG1  ))
     6 6 0 peak 22192 weight  0.1000E+01 volume 8.12990 ppm1 3.820 ppm2 1.957
ASSI { 22202}
  (( segid "PROT" and resid 34  and name HD1  ))
  (( segid "PROT" and resid 34  and name HG2  ))
     6 6 0 peak 22202 weight  0.1000E+01 volume 11.27750 ppm1 3.794 ppm2 1.785
ASSI { 22212}
  (( segid "PROT" and resid 34  and name HA  ))
  (( segid "PROT" and resid 34  and name HG2  ))
     6 6 0 peak 22212 weight  0.1000E+01 volume 5.62310 ppm1 4.356 ppm2 1.758
ASSI { 22222}
  (( segid "PROT" and resid 34  and name HA  ))
  (( segid "PROT" and resid 34  and name HG1  ))
     6 6 0 peak 22222 weight  0.1000E+01 volume 3.77730 ppm1 4.356 ppm2 1.957
ASSI { 22232}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 104  and name HD1  ))
     6 6 0 peak 22232 weight  0.1000E+01 volume 1.64370 ppm1 7.095 ppm2 1.790
ASSI { 22242}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 34  and name HG1  ))
     6 6 0 peak 22242 weight  0.1000E+01 volume 2.33290 ppm1 7.100 ppm2 1.957
ASSI { 22252}
  (( segid "PROT" and resid 24  and name HA  ))
  (( segid "PROT" and resid 27  and name HG1  ))
     6 6 0 peak 22252 weight  0.1000E+01 volume 23.25480 ppm1 3.949 ppm2 1.693
ASSI { 22262}
  (( segid "PROT" and resid 58  and name HB1  ))
  (( segid "PROT" and resid 58  and name HB2  ))
     6 6 0 peak 22262 weight  0.1000E+01 volume 11.95920 ppm1 2.592 ppm2 2.303
ASSI { 22272}
  (( segid "PROT" and resid 57  and name HA  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 22272 weight  0.1000E+01 volume 5.17110 ppm1 5.064 ppm2 0.882
ASSI { 22282}
  (( segid "PROT" and resid 64  and name HB1  ))
  (( segid "PROT" and resid 64  and name HD1  ))
     6 6 0 peak 22282 weight  0.1000E+01 volume 31.00780 ppm1 2.004 ppm2 3.200
ASSI { 22292}
  (( segid "PROT" and resid 68  and name HG2#  ))
  (( segid "PROT" and resid 64  and name HD1  ))
     6 6 0 peak 22292 weight  0.1000E+01 volume 9.00770 ppm1 1.224 ppm2 3.204
ASSI { 22302}
  (( segid "PROT" and resid 64  and name HG2  ))
  (( segid "PROT" and resid 64  and name HD1  ))
     6 6 0 peak 22302 weight  0.1000E+01 volume 59.69240 ppm1 1.500 ppm2 3.207
ASSI { 22312}
  (( segid "PROT" and resid 64  and name HD1  ))
  (( segid "PROT" and resid 64  and name HB1  ))
     6 6 0 peak 22312 weight  0.1000E+01 volume 7.64960 ppm1 3.205 ppm2 1.984
ASSI { 22322}
  (( segid "PROT" and resid 64  and name HA  ))
  (( segid "PROT" and resid 64  and name HB1  ))
     6 6 0 peak 22322 weight  0.1000E+01 volume 29.40350 ppm1 4.161 ppm2 1.988
ASSI { 22332}
  (( segid "PROT" and resid 64  and name HG2  ))
  (( segid "PROT" and resid 64  and name HB1  ))
     6 6 0 peak 22332 weight  0.1000E+01 volume 17.58660 ppm1 1.501 ppm2 1.978
ASSI { 22342}
  (( segid "PROT" and resid 64  and name HD1  ))
  (( segid "PROT" and resid 64  and name HG2  ))
     6 6 0 peak 22342 weight  0.1000E+01 volume 11.55700 ppm1 3.222 ppm2 1.498
ASSI { 22352}
  (( segid "PROT" and resid 64  and name HA  ))
  (( segid "PROT" and resid 64  and name HG2  ))
     6 6 0 peak 22352 weight  0.1000E+01 volume 14.55090 ppm1 4.169 ppm2 1.498
ASSI { 22362}
  (( segid "PROT" and resid 64  and name HG2  ))
  (( segid "PROT" and resid 64  and name HG1  ))
     6 6 0 peak 22362 weight  0.1000E+01 volume 93.20730 ppm1 1.506 ppm2 1.667
ASSI { 22372}
  (( segid "PROT" and resid 68  and name HG2#  ))
  (( segid "PROT" and resid 64  and name HG1  ))
     6 6 0 peak 22372 weight  0.1000E+01 volume 13.70330 ppm1 1.222 ppm2 1.667
ASSI { 22382}
  (( segid "PROT" and resid 64  and name HA  ))
  (( segid "PROT" and resid 64  and name HG1  ))
     6 6 0 peak 22382 weight  0.1000E+01 volume 16.76770 ppm1 4.174 ppm2 1.678
ASSI { 22392}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 75  and name HA  ))
     6 6 0 peak 22392 weight  0.1000E+01 volume 6.50620 ppm1 1.254 ppm2 4.198
ASSI { 22402}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 75  and name HA  ))
     6 6 0 peak 22402 weight  0.1000E+01 volume 7.56160 ppm1 1.114 ppm2 4.204
ASSI { 22412}
  (( segid "PROT" and resid 55  and name HB1  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 22412 weight  0.1000E+01 volume 14.31280 ppm1 2.738 ppm2 0.888
ASSI { 22422}
  (( segid "PROT" and resid 57  and name HG1  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 22422 weight  0.1000E+01 volume 6.78130 ppm1 3.003 ppm2 0.888
ASSI { 22432}
  (( segid "PROT" and resid 83  and name HD1#  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 22432 weight  0.1000E+01 volume 54.56370 ppm1 0.883 ppm2 1.096
ASSI { 22442}
  (( segid "PROT" and resid 55  and name HB1  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 22442 weight  0.1000E+01 volume 28.46650 ppm1 2.738 ppm2 1.097
ASSI { 22452}
  (( segid "PROT" and resid 86  and name HB1  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 22452 weight  0.1000E+01 volume 4.10430 ppm1 3.117 ppm2 1.108
ASSI { 22462}
  (( segid "PROT" and resid 86  and name HB2  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 22462 weight  0.1000E+01 volume 2.63560 ppm1 2.887 ppm2 1.108
ASSI { 22472}
  (( segid "PROT" and resid 74  and name HD1  ))
  (( segid "PROT" and resid 74  and name HG2  ))
     6 6 0 peak 22472 weight  0.1000E+01 volume 11.76670 ppm1 3.773 ppm2 1.411
ASSI { 22482}
  (( segid "PROT" and resid 83  and name HB1  ))
  (( segid "PROT" and resid 83  and name HG  ))
     6 6 0 peak 22482 weight  0.1000E+01 volume 9.98540 ppm1 2.160 ppm2 1.410
ASSI { 22492}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 74  and name HG1  ))
     6 6 0 peak 22492 weight  0.1000E+01 volume 11.70730 ppm1 0.607 ppm2 1.793
ASSI { 22502}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 74  and name HG2  ))
     6 6 0 peak 22502 weight  0.1000E+01 volume 7.65740 ppm1 0.611 ppm2 1.407
ASSI { 22512}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 74  and name HG2  ))
     6 6 0 peak 22512 weight  0.1000E+01 volume 8.80880 ppm1 0.266 ppm2 1.408
ASSI { 22522}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 74  and name HG2  ))
     6 6 0 peak 22522 weight  0.1000E+01 volume 3.36470 ppm1 0.354 ppm2 1.410
ASSI { 22532}
  (( segid "PROT" and resid 57  and name HA  ))
  (( segid "PROT" and resid 61  and name HB  ))
     6 6 0 peak 22532 weight  0.1000E+01 volume 2.00300 ppm1 5.069 ppm2 4.228
ASSI { 22542}
  (( segid "PROT" and resid 116  and name HG2#  ))
  (( segid "PROT" and resid 117  and name HA  ))
     6 6 0 peak 22542 weight  0.1000E+01 volume 3.06580 ppm1 0.772 ppm2 4.307
ASSI { 22552}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 22  and name HA  ))
     6 6 0 peak 22552 weight  0.1000E+01 volume 1.67940 ppm1 0.889 ppm2 4.307
ASSI { 22562}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 117  and name HA  ))
     6 6 0 peak 22562 weight  0.1000E+01 volume 3.25940 ppm1 0.607 ppm2 4.299
ASSI { 22572}
  (( segid "PROT" and resid 117  and name HB2  ))
  (( segid "PROT" and resid 117  and name HA  ))
     6 6 0 peak 22572 weight  0.1000E+01 volume 9.40620 ppm1 1.975 ppm2 4.301
ASSI { 22582}
  (( segid "PROT" and resid 117  and name HB2  ))
  (( segid "PROT" and resid 114  and name HA  ))
     6 6 0 peak 22582 weight  0.1000E+01 volume 2.41060 ppm1 1.988 ppm2 4.549
ASSI { 22592}
  (( segid "PROT" and resid 84  and name HG1  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 22592 weight  0.1000E+01 volume 15.37610 ppm1 2.580 ppm2 1.217
ASSI { 22602}
  (( segid "PROT" and resid 94  and name HA  ))
  (( segid "PROT" and resid 94  and name HB1  ))
     6 6 0 peak 22602 weight  0.1000E+01 volume 47.26770 ppm1 2.174 ppm2 1.401
ASSI { 22612}
  (( segid "PROT" and resid 84  and name HB1  ))
  (( segid "PROT" and resid 81  and name HA  ))
     6 6 0 peak 22612 weight  0.1000E+01 volume 2.77600 ppm1 2.210 ppm2 2.474
ASSI { 22622}
  (( segid "PROT" and resid 84  and name HE#  ))
  (( segid "PROT" and resid 84  and name HG2  ))
     6 6 0 peak 22622 weight  0.1000E+01 volume 3.60690 ppm1 1.241 ppm2 1.831
ASSI { 22632}
  (( segid "PROT" and resid 56  and name HB1  ))
  (( segid "PROT" and resid 56  and name HB2  ))
     6 6 0 peak 22632 weight  0.1000E+01 volume 30.15060 ppm1 2.442 ppm2 2.141
ASSI { 22642}
  (( segid "PROT" and resid 84  and name HB1  ))
  (( segid "PROT" and resid 84  and name HA  ))
     6 6 0 peak 22642 weight  0.1000E+01 volume 6.89680 ppm1 2.199 ppm2 3.650
ASSI { 22652}
  (( segid "PROT" and resid 41  and name HB1  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 22652 weight  0.1000E+01 volume 3.89660 ppm1 2.318 ppm2 -0.372
ASSI { 22662}
  (( segid "PROT" and resid 41  and name HB2  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 22662 weight  0.1000E+01 volume 5.62340 ppm1 1.709 ppm2 -0.371
ASSI { 22672}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 25  and name HA  ))
     6 6 0 peak 22672 weight  0.1000E+01 volume 1.61610 ppm1 0.393 ppm2 4.102
ASSI { 22692}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 22692 weight  0.1000E+01 volume 2.60300 ppm1 0.579 ppm2 1.165
ASSI { 22702}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 8  and name HD1#  ))
     6 6 0 peak 22702 weight  0.1000E+01 volume 18.13130 ppm1 0.682 ppm2 0.826
ASSI { 22712}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 8  and name HD1#  ))
     6 6 0 peak 22712 weight  0.1000E+01 volume 5.33160 ppm1 0.367 ppm2 0.826
ASSI { 22732}
  (( segid "PROT" and resid 27  and name HG1  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 22732 weight  0.1000E+01 volume 11.47920 ppm1 1.700 ppm2 1.414
ASSI { 22742}
  (( segid "PROT" and resid 27  and name HB1  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 22742 weight  0.1000E+01 volume 4.42820 ppm1 1.897 ppm2 1.413
ASSI { 22752}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 107  and name HB1  ))
     6 6 0 peak 22752 weight  0.1000E+01 volume 3.96450 ppm1 0.956 ppm2 2.259
ASSI { 22762}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 104  and name HE1  ))
     6 6 0 peak 22762 weight  0.1000E+01 volume 25.55040 ppm1 0.961 ppm2 2.831
ASSI { 22772}
  (( segid "PROT" and resid 94  and name HE1  ))
  (( segid "PROT" and resid 94  and name HB2  ))
     6 6 0 peak 22772 weight  0.1000E+01 volume 6.30700 ppm1 2.887 ppm2 1.387
ASSI { 22782}
  (( segid "PROT" and resid 10  and name HE1  ))
  (( segid "PROT" and resid 10  and name HD1  ))
     6 6 0 peak 22782 weight  0.1000E+01 volume 31.98530 ppm1 3.007 ppm2 1.714
ASSI { 22792}
  (( segid "PROT" and resid 94  and name HD1  ))
  (( segid "PROT" and resid 94  and name HE1  ))
     6 6 0 peak 22792 weight  0.1000E+01 volume 106.47320 ppm1 1.507 ppm2 2.881
ASSI { 22802}
  (( segid "PROT" and resid 104  and name HD1  ))
  (( segid "PROT" and resid 104  and name HE1  ))
     6 6 0 peak 22802 weight  0.1000E+01 volume 33.97620 ppm1 1.795 ppm2 2.819
ASSI { 22812}
  (( segid "PROT" and resid 104  and name HA  ))
  (( segid "PROT" and resid 104  and name HE1  ))
     6 6 0 peak 22812 weight  0.1000E+01 volume 10.74890 ppm1 4.240 ppm2 2.829
ASSI { 22822}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 63  and name HE1  ))
     6 6 0 peak 22822 weight  0.1000E+01 volume 4.57300 ppm1 6.603 ppm2 2.803
ASSI { 22832}
  (( segid "PROT" and resid 101  and name HE1  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 22832 weight  0.1000E+01 volume 2.40270 ppm1 7.321 ppm2 2.578
ASSI { 22842}
  (( segid "PROT" and resid 31  and name HG1  ))
  (( segid "PROT" and resid 31  and name HG2  ))
     6 6 0 peak 22842 weight  0.1000E+01 volume 2.10200 ppm1 2.305 ppm2 1.589
ASSI { 22852}
  (( segid "PROT" and resid 31  and name HG2  ))
  (( segid "PROT" and resid 31  and name HG1  ))
     6 6 0 peak 22852 weight  0.1000E+01 volume 6.18800 ppm1 1.595 ppm2 2.287
ASSI { 22862}
  (( segid "PROT" and resid 101  and name HA  ))
  (( segid "PROT" and resid 31  and name HG1  ))
     6 6 0 peak 22862 weight  0.1000E+01 volume 1.21350 ppm1 4.505 ppm2 2.298
ASSI { 22872}
  (( segid "PROT" and resid 101  and name HA  ))
  (( segid "PROT" and resid 31  and name HG2  ))
     6 6 0 peak 22872 weight  0.1000E+01 volume 1.45810 ppm1 4.514 ppm2 1.598
ASSI { 22882}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 31  and name HG1  ))
     6 6 0 peak 22882 weight  0.1000E+01 volume 1.38370 ppm1 7.101 ppm2 2.305
ASSI { 22892}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 31  and name HG2  ))
     6 6 0 peak 22892 weight  0.1000E+01 volume 1.45660 ppm1 7.096 ppm2 1.574
ASSI { 22902}
  (( segid "PROT" and resid 89  and name HD1  ))
  (( segid "PROT" and resid 89  and name HA  ))
     6 6 0 peak 22902 weight  0.1000E+01 volume 0.48780 ppm1 4.993 ppm2 4.808
ASSI { 22912}
  (( segid "PROT" and resid 71  and name HD1  ))
  (( segid "PROT" and resid 71  and name HA  ))
     6 6 0 peak 22912 weight  0.1000E+01 volume 0.51990 ppm1 6.870 ppm2 4.765
ASSI { 22932}
  (( segid "PROT" and resid 71  and name HB1  ))
  (( segid "PROT" and resid 71  and name HA  ))
     6 6 0 peak 22932 weight  0.1000E+01 volume 1.80160 ppm1 2.754 ppm2 4.776
ASSI { 22962}
  (( segid "PROT" and resid 63  and name HG2  ))
  (( segid "PROT" and resid 63  and name HE1  ))
     6 6 0 peak 22962 weight  0.1000E+01 volume 19.28330 ppm1 1.199 ppm2 2.807
ASSI { 22972}
  (( segid "PROT" and resid 65  and name HE1  ))
  (( segid "PROT" and resid 65  and name HB2  ))
     6 6 0 peak 22972 weight  0.1000E+01 volume 1.76540 ppm1 2.348 ppm2 0.555
ASSI { 22982}
  (( segid "PROT" and resid 65  and name HB2  ))
  (( segid "PROT" and resid 65  and name HB1  ))
     6 6 0 peak 22982 weight  0.1000E+01 volume 3.15400 ppm1 0.570 ppm2 1.959
ASSI { 22992}
  (( segid "PROT" and resid 109  and name HA  ))
  (( segid "PROT" and resid 25  and name HD1#  ))
     6 6 0 peak 22992 weight  0.1000E+01 volume 3.73720 ppm1 4.031 ppm2 0.661
ASSI { 23002}
  (( segid "PROT" and resid 91  and name HA  ))
  (( segid "PROT" and resid 90  and name HD2#  ))
     6 6 0 peak 23002 weight  0.1000E+01 volume 8.75630 ppm1 4.010 ppm2 0.983
ASSI { 23012}
  (( segid "PROT" and resid 14  and name HB2  ))
  (( segid "PROT" and resid 11  and name HA  ))
     6 6 0 peak 23012 weight  0.1000E+01 volume 1.98320 ppm1 1.304 ppm2 4.227
ASSI { 23022}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 120  and name HB2  ))
     6 6 0 peak 23022 weight  0.1000E+01 volume 4.36810 ppm1 7.389 ppm2 1.627
ASSI { 23032}
  (( segid "PROT" and resid 108  and name HG2#  ))
  (( segid "PROT" and resid 28  and name HG2  ))
     6 6 0 peak 23032 weight  0.1000E+01 volume 11.76160 ppm1 0.881 ppm2 2.055
ASSI { 23042}
  (( segid "PROT" and resid 101  and name HA  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 23042 weight  0.1000E+01 volume 1.01980 ppm1 4.506 ppm2 2.576
ASSI { 23052}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 32  and name HA  ))
     6 6 0 peak 23052 weight  0.1000E+01 volume 3.88870 ppm1 7.372 ppm2 4.352
ASSI { 23062}
  (( segid "PROT" and resid 95  and name HA  ))
  (( segid "PROT" and resid 94  and name HE1  ))
     6 6 0 peak 23062 weight  0.1000E+01 volume 14.22050 ppm1 4.100 ppm2 2.928
ASSI { 23082}
  (( segid "PROT" and resid 63  and name HE1  ))
  (( segid "PROT" and resid 22  and name HD1#  ))
     6 6 0 peak 23082 weight  0.1000E+01 volume 2.54700 ppm1 2.800 ppm2 1.088
ASSI { 23092}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 22  and name HD1#  ))
     6 6 0 peak 23092 weight  0.1000E+01 volume 2.11030 ppm1 0.343 ppm2 1.087
ASSI { 23102}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 23102 weight  0.1000E+01 volume 8.08870 ppm1 0.733 ppm2 1.094
ASSI { 23112}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 59  and name HB1  ))
     6 6 0 peak 23112 weight  0.1000E+01 volume 0.45380 ppm1 6.614 ppm2 1.709
ASSI { 23122}
  (( segid "PROT" and resid 38  and name HD2  ))
  (( segid "PROT" and resid 37  and name HG2  ))
     6 6 0 peak 23122 weight  0.1000E+01 volume 2.79840 ppm1 3.455 ppm2 2.142
ASSI { 23132}
  (( segid "PROT" and resid 112  and name HB2  ))
  (( segid "PROT" and resid 109  and name HA  ))
     6 6 0 peak 23132 weight  0.1000E+01 volume 2.39720 ppm1 1.765 ppm2 4.029
ASSI { 23142}
  (( segid "PROT" and resid 112  and name HB1  ))
  (( segid "PROT" and resid 109  and name HA  ))
     6 6 0 peak 23142 weight  0.1000E+01 volume 2.74160 ppm1 2.005 ppm2 4.031
ASSI { 23152}
  (( segid "PROT" and resid 43  and name HD1#  ))
  (( segid "PROT" and resid 40  and name HB1  ))
     6 6 0 peak 23152 weight  0.1000E+01 volume 8.25470 ppm1 0.833 ppm2 2.919
ASSI { 23162}
  (( segid "PROT" and resid 117  and name HG2  ))
  (( segid "PROT" and resid 113  and name HG11  ))
     6 6 0 peak 23162 weight  0.1000E+01 volume 2.26360 ppm1 2.510 ppm2 1.215
ASSI { 23172}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 23172 weight  0.1000E+01 volume 3.78630 ppm1 0.234 ppm2 1.112
ASSI { 23182}
  (( segid "PROT" and resid 115  and name HB1  ))
  (( segid "PROT" and resid 115  and name HG1  ))
     6 6 0 peak 23182 weight  0.1000E+01 volume 91.70070 ppm1 2.277 ppm2 2.041
ASSI { 23192}
  (( segid "PROT" and resid 116  and name HA  ))
  (( segid "PROT" and resid 119  and name HB2  ))
     6 6 0 peak 23192 weight  0.1000E+01 volume 26.17640 ppm1 3.673 ppm2 4.000
ASSI { 23202}
  (( segid "PROT" and resid 113  and name HA  ))
  (( segid "PROT" and resid 116  and name HG1#  ))
     6 6 0 peak 23202 weight  0.1000E+01 volume 17.02340 ppm1 4.097 ppm2 1.037
ASSI { 23212}
  (( segid "PROT" and resid 117  and name HE#  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 23212 weight  0.1000E+01 volume 10.91700 ppm1 1.472 ppm2 1.112
ASSI { 23222}
  (( segid "PROT" and resid 117  and name HA  ))
  (( segid "PROT" and resid 120  and name HB2  ))
     6 6 0 peak 23222 weight  0.1000E+01 volume 2.38600 ppm1 4.309 ppm2 1.634
ASSI { 23232}
  (( segid "PROT" and resid 117  and name HA  ))
  (( segid "PROT" and resid 120  and name HD2#  ))
     6 6 0 peak 23232 weight  0.1000E+01 volume 1.08670 ppm1 4.309 ppm2 0.659
ASSI { 23242}
  (( segid "PROT" and resid 17  and name HA  ))
  (( segid "PROT" and resid 120  and name HD2#  ))
     6 6 0 peak 23242 weight  0.1000E+01 volume 2.41430 ppm1 4.182 ppm2 0.660
ASSI { 23252}
  (( segid "PROT" and resid 119  and name HB2  ))
  (( segid "PROT" and resid 120  and name HD2#  ))
     6 6 0 peak 23252 weight  0.1000E+01 volume 0.60620 ppm1 3.976 ppm2 0.656
ASSI { 23262}
  (( segid "PROT" and resid 52  and name HD1#  ))
  (( segid "PROT" and resid 91  and name HB2  ))
     6 6 0 peak 23262 weight  0.1000E+01 volume 2.48690 ppm1 0.882 ppm2 2.947
ASSI { 23272}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 52  and name HG2#  ))
     6 6 0 peak 23272 weight  0.1000E+01 volume 1.68040 ppm1 0.608 ppm2 0.997
ASSI { 23282}
  (( segid "PROT" and resid 50  and name HA  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 23282 weight  0.1000E+01 volume 1.54980 ppm1 4.974 ppm2 0.607
ASSI { 23292}
  (( segid "PROT" and resid 83  and name HD1#  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 23292 weight  0.1000E+01 volume 2.35380 ppm1 0.889 ppm2 5.243
ASSI { 23302}
  (( segid "PROT" and resid 83  and name HD2#  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 23302 weight  0.1000E+01 volume 1.32880 ppm1 1.107 ppm2 5.245
ASSI { 23312}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 105  and name HD2#  ))
     6 6 0 peak 23312 weight  0.1000E+01 volume 4.60660 ppm1 0.958 ppm2 0.564
ASSI { 23322}
  (( segid "PROT" and resid 10  and name HB2  ))
  (( segid "PROT" and resid 13  and name HB1  ))
     6 6 0 peak 23322 weight  0.1000E+01 volume 4.08430 ppm1 1.672 ppm2 2.415
ASSI { 23332}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 23332 weight  0.1000E+01 volume 8.05780 ppm1 0.609 ppm2 0.352
ASSI { 23342}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 23342 weight  0.1000E+01 volume 7.34160 ppm1 0.660 ppm2 0.350
ASSI { 23352}
  (( segid "PROT" and resid 65  and name HB2  ))
  (( segid "PROT" and resid 65  and name HE1  ))
     6 6 0 peak 23352 weight  0.1000E+01 volume 5.50660 ppm1 0.564 ppm2 2.381
ASSI { 23362}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 15  and name HB1  ))
     6 6 0 peak 23362 weight  0.1000E+01 volume 4.30700 ppm1 0.882 ppm2 1.903
ASSI { 23372}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 15  and name HG1  ))
     6 6 0 peak 23372 weight  0.1000E+01 volume 7.69960 ppm1 0.736 ppm2 1.539
ASSI { 23382}
  (( segid "PROT" and resid 120  and name HB1  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 23382 weight  0.1000E+01 volume 11.86200 ppm1 1.782 ppm2 1.335
ASSI { 23392}
  (( segid "PROT" and resid 116  and name HB  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 23392 weight  0.1000E+01 volume 4.60090 ppm1 2.072 ppm2 1.337
ASSI { 23402}
  (( segid "PROT" and resid 18  and name HG  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 23402 weight  0.1000E+01 volume 13.34330 ppm1 1.551 ppm2 1.334
ASSI { 23412}
  (( segid "PROT" and resid 120  and name HB2  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 23412 weight  0.1000E+01 volume 4.41290 ppm1 1.635 ppm2 1.334
ASSI { 23422}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 18  and name HA  ))
     6 6 0 peak 23422 weight  0.1000E+01 volume 1.74110 ppm1 1.042 ppm2 4.185
ASSI { 23432}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 23432 weight  0.1000E+01 volume 16.91370 ppm1 0.835 ppm2 0.740
ASSI { 23442}
  (( segid "PROT" and resid 18  and name HB2  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 23442 weight  0.1000E+01 volume 6.46730 ppm1 0.344 ppm2 0.734
ASSI { 23452}
  (( segid "PROT" and resid 18  and name HB2  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 23452 weight  0.1000E+01 volume 13.59990 ppm1 0.350 ppm2 0.829
ASSI { 23462}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 23462 weight  0.1000E+01 volume 3.04380 ppm1 0.506 ppm2 0.831
ASSI { 23472}
  (( segid "PROT" and resid 18  and name HB2  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 23472 weight  0.1000E+01 volume 3.72190 ppm1 0.349 ppm2 0.771
ASSI { 23482}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 23482 weight  0.1000E+01 volume 33.71350 ppm1 0.611 ppm2 0.771
ASSI { 23492}
  (( segid "PROT" and resid 19  and name HG2  ))
  (( segid "PROT" and resid 19  and name HA  ))
     6 6 0 peak 23492 weight  0.1000E+01 volume 5.47690 ppm1 2.552 ppm2 4.421
ASSI { 23502}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 23502 weight  0.1000E+01 volume 39.75710 ppm1 0.887 ppm2 1.298
ASSI { 23512}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 21  and name HG2#  ))
     6 6 0 peak 23512 weight  0.1000E+01 volume 6.77490 ppm1 0.721 ppm2 1.301
ASSI { 23522}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 110  and name HB2  ))
     6 6 0 peak 23522 weight  0.1000E+01 volume 4.58160 ppm1 0.723 ppm2 2.165
ASSI { 23532}
  (( segid "PROT" and resid 107  and name HG1  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 23532 weight  0.1000E+01 volume 5.49330 ppm1 2.503 ppm2 0.961
ASSI { 23542}
  (( segid "PROT" and resid 107  and name HB1  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 23542 weight  0.1000E+01 volume 6.79870 ppm1 2.272 ppm2 0.957
ASSI { 23552}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 23552 weight  0.1000E+01 volume 7.16750 ppm1 0.567 ppm2 0.960
ASSI { 23562}
  (( segid "PROT" and resid 109  and name HA  ))
  (( segid "PROT" and resid 106  and name HA  ))
     6 6 0 peak 23562 weight  0.1000E+01 volume 1.09670 ppm1 4.032 ppm2 3.418
ASSI { 23572}
  (( segid "PROT" and resid 109  and name HB2  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 23572 weight  0.1000E+01 volume 3.61230 ppm1 3.045 ppm2 0.922
ASSI { 23582}
  (( segid "PROT" and resid 104  and name HG2  ))
  (( segid "PROT" and resid 104  and name HD1  ))
     6 6 0 peak 23582 weight  0.1000E+01 volume 16.51040 ppm1 1.236 ppm2 1.797
ASSI { 23592}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 104  and name HD1  ))
     6 6 0 peak 23592 weight  0.1000E+01 volume 7.42680 ppm1 0.957 ppm2 1.804
ASSI { 23602}
  (( segid "PROT" and resid 94  and name HD1  ))
  (( segid "PROT" and resid 94  and name HB2  ))
     6 6 0 peak 23602 weight  0.1000E+01 volume 58.45630 ppm1 1.503 ppm2 1.402
ASSI { 23612}
  (( segid "PROT" and resid 65  and name HD2  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 23612 weight  0.1000E+01 volume 17.08770 ppm1 1.346 ppm2 1.141
ASSI { 23622}
  (( segid "PROT" and resid 65  and name HG2  ))
  (( segid "PROT" and resid 65  and name HD2  ))
     6 6 0 peak 23622 weight  0.1000E+01 volume 4.48420 ppm1 0.728 ppm2 1.350
ASSI { 23632}
  (( segid "PROT" and resid 61  and name HG2#  ))
  (( segid "PROT" and resid 65  and name HD2  ))
     6 6 0 peak 23632 weight  0.1000E+01 volume 4.71880 ppm1 1.139 ppm2 1.346
ASSI { 23642}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 120  and name HD2#  ))
     6 6 0 peak 23642 weight  0.1000E+01 volume 11.72500 ppm1 0.356 ppm2 0.659
ASSI { 23652}
  (( segid "PROT" and resid 51  and name HB2  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 23652 weight  0.1000E+01 volume 4.75580 ppm1 2.689 ppm2 0.883
ASSI { 23682}
  (( segid "PROT" and resid 117  and name HG1  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 23682 weight  0.1000E+01 volume 5.35370 ppm1 2.607 ppm2 0.889
ASSI { 23692}
  (( segid "PROT" and resid 80  and name HB1  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 23692 weight  0.1000E+01 volume 5.86190 ppm1 2.797 ppm2 0.341
ASSI { 23702}
  (( segid "PROT" and resid 22  and name HD2#  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 23702 weight  0.1000E+01 volume 20.57310 ppm1 1.107 ppm2 0.343
ASSI { 23712}
  (( segid "PROT" and resid 84  and name HE#  ))
  (( segid "PROT" and resid 62  and name HD1#  ))
     6 6 0 peak 23712 weight  0.1000E+01 volume 9.34900 ppm1 1.236 ppm2 0.342
ASSI { 23722}
  (( segid "PROT" and resid 35  and name HD1  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 23722 weight  0.1000E+01 volume 5.67930 ppm1 7.425 ppm2 1.213
ASSI { 23732}
  (( segid "PROT" and resid 19  and name HG1  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 23732 weight  0.1000E+01 volume 18.06710 ppm1 2.672 ppm2 2.011
ASSI { 23742}
  (( segid "PROT" and resid 67  and name HA  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 23742 weight  0.1000E+01 volume 9.38970 ppm1 4.359 ppm2 2.014
ASSI { 23752}
  (( segid "PROT" and resid 102  and name HB2  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 23752 weight  0.1000E+01 volume 4.38250 ppm1 2.707 ppm2 1.744
ASSI { 23782}
  (( segid "PROT" and resid 65  and name HZ2  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 23782 weight  0.1000E+01 volume 6.32530 ppm1 6.830 ppm2 1.164
ASSI { 23792}
  (( segid "PROT" and resid 39  and name HG1#  ))
  (( segid "PROT" and resid 39  and name HB  ))
     6 6 0 peak 23792 weight  0.1000E+01 volume 48.65560 ppm1 0.736 ppm2 1.469
ASSI { 23802}
  (( segid "PROT" and resid 38  and name HA  ))
  (( segid "PROT" and resid 39  and name HG1#  ))
     6 6 0 peak 23802 weight  0.1000E+01 volume 3.45010 ppm1 4.135 ppm2 0.742
ASSI { 23822}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 39  and name HG1#  ))
     6 6 0 peak 23822 weight  0.1000E+01 volume 81.88570 ppm1 -0.369 ppm2 0.741
ASSI { 23832}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 53  and name HG2#  ))
     6 6 0 peak 23832 weight  0.1000E+01 volume 128.09019 ppm1 0.448 ppm2 0.605
ASSI { 23842}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 53  and name HA  ))
     6 6 0 peak 23842 weight  0.1000E+01 volume 32.90330 ppm1 0.446 ppm2 3.530
ASSI { 23852}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 53  and name HB  ))
     6 6 0 peak 23852 weight  0.1000E+01 volume 26.85710 ppm1 0.447 ppm2 1.023
ASSI { 23862}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 53  and name HB  ))
     6 6 0 peak 23862 weight  0.1000E+01 volume 2.51060 ppm1 6.154 ppm2 1.025
ASSI { 23872}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 23872 weight  0.1000E+01 volume 64.06300 ppm1 0.612 ppm2 0.452
ASSI { 23882}
  (( segid "PROT" and resid 91  and name HB2  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 23882 weight  0.1000E+01 volume 7.89540 ppm1 2.904 ppm2 0.442
ASSI { 23892}
  (( segid "PROT" and resid 87  and name HB2  ))
  (( segid "PROT" and resid 53  and name HG1#  ))
     6 6 0 peak 23892 weight  0.1000E+01 volume 12.95080 ppm1 2.753 ppm2 0.440
ASSI { 23902}
  (( segid "PROT" and resid 117  and name HG1  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 23902 weight  0.1000E+01 volume 4.63040 ppm1 2.603 ppm2 0.722
ASSI { 23912}
  (( segid "PROT" and resid 67  and name HB2  ))
  (( segid "PROT" and resid 68  and name HG2#  ))
     6 6 0 peak 23912 weight  0.1000E+01 volume 9.26970 ppm1 2.595 ppm2 1.225
ASSI { 23942}
  (( segid "PROT" and resid 44  and name HD1#  ))
  (( segid "PROT" and resid 44  and name HA  ))
     6 6 0 peak 23942 weight  0.1000E+01 volume 19.67330 ppm1 0.747 ppm2 4.190
ASSI { 23952}
  (( segid "PROT" and resid 44  and name HG  ))
  (( segid "PROT" and resid 44  and name HA  ))
     6 6 0 peak 23952 weight  0.1000E+01 volume 13.40330 ppm1 1.696 ppm2 4.192
ASSI { 23962}
  (( segid "PROT" and resid 44  and name HD2#  ))
  (( segid "PROT" and resid 44  and name HG  ))
     6 6 0 peak 23962 weight  0.1000E+01 volume 28.14600 ppm1 0.830 ppm2 1.697
ASSI { 23972}
  (( segid "PROT" and resid 55  and name HA  ))
  (( segid "PROT" and resid 83  and name HD2#  ))
     6 6 0 peak 23972 weight  0.1000E+01 volume 1.71350 ppm1 5.248 ppm2 1.113
ASSI { 23982}
  (( segid "PROT" and resid 90  and name HB1  ))
  (( segid "PROT" and resid 90  and name HD2#  ))
     6 6 0 peak 23982 weight  0.1000E+01 volume 19.01970 ppm1 2.138 ppm2 0.983
ASSI { 23992}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 23992 weight  0.1000E+01 volume 21.13980 ppm1 0.348 ppm2 0.584
ASSI { 24002}
  (( segid "PROT" and resid 84  and name HE#  ))
  (( segid "PROT" and resid 59  and name HD2#  ))
     6 6 0 peak 24002 weight  0.1000E+01 volume 6.91690 ppm1 1.239 ppm2 0.582
ASSI { 24012}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 104  and name HG2  ))
     6 6 0 peak 24012 weight  0.1000E+01 volume 12.10270 ppm1 0.963 ppm2 1.233
ASSI { 24022}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 104  and name HG1  ))
     6 6 0 peak 24022 weight  0.1000E+01 volume 7.70230 ppm1 0.963 ppm2 1.469
ASSI { 24032}
  (( segid "PROT" and resid 104  and name HB1  ))
  (( segid "PROT" and resid 104  and name HG2  ))
     6 6 0 peak 24032 weight  0.1000E+01 volume 10.92790 ppm1 2.050 ppm2 1.230
ASSI { 24042}
  (( segid "PROT" and resid 104  and name HB1  ))
  (( segid "PROT" and resid 104  and name HG1  ))
     6 6 0 peak 24042 weight  0.1000E+01 volume 10.71510 ppm1 2.051 ppm2 1.479
ASSI { 24052}
  (( segid "PROT" and resid 104  and name HD1  ))
  (( segid "PROT" and resid 104  and name HG2  ))
     6 6 0 peak 24052 weight  0.1000E+01 volume 8.78950 ppm1 1.797 ppm2 1.243
ASSI { 24062}
  (( segid "PROT" and resid 104  and name HD2  ))
  (( segid "PROT" and resid 104  and name HG2  ))
     6 6 0 peak 24062 weight  0.1000E+01 volume 13.61040 ppm1 1.627 ppm2 1.237
ASSI { 24072}
  (( segid "PROT" and resid 77  and name HB1  ))
  (( segid "PROT" and resid 18  and name HD1#  ))
     6 6 0 peak 24072 weight  0.1000E+01 volume 30.30110 ppm1 2.653 ppm2 0.234
ASSI { 24082}
  (( segid "PROT" and resid 7  and name HE1  ))
  (( segid "PROT" and resid 7  and name HG1  ))
     6 6 0 peak 24082 weight  0.1000E+01 volume 25.72710 ppm1 2.680 ppm2 1.095
ASSI { 24092}
  (( segid "PROT" and resid 7  and name HE1  ))
  (( segid "PROT" and resid 7  and name HG2  ))
     6 6 0 peak 24092 weight  0.1000E+01 volume 27.59470 ppm1 2.681 ppm2 0.963
ASSI { 24102}
  (( segid "PROT" and resid 9  and name HD1  ))
  (( segid "PROT" and resid 7  and name HG1  ))
     6 6 0 peak 24102 weight  0.1000E+01 volume 2.87670 ppm1 7.321 ppm2 1.096
ASSI { 24112}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 7  and name HG1  ))
     6 6 0 peak 24112 weight  0.1000E+01 volume 1.77690 ppm1 7.387 ppm2 1.108
ASSI { 24122}
  (( segid "PROT" and resid 77  and name HB1  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 24122 weight  0.1000E+01 volume 6.27330 ppm1 2.667 ppm2 0.832
ASSI { 24142}
  (( segid "PROT" and resid 18  and name HB1  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 24142 weight  0.1000E+01 volume 50.78530 ppm1 1.377 ppm2 0.732
ASSI { 24152}
  (( segid "PROT" and resid 19  and name HA  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 24152 weight  0.1000E+01 volume 12.93520 ppm1 4.421 ppm2 0.736
ASSI { 24162}
  (( segid "PROT" and resid 19  and name HA  ))
  (( segid "PROT" and resid 66  and name HD2#  ))
     6 6 0 peak 24162 weight  0.1000E+01 volume 4.20980 ppm1 4.418 ppm2 0.829
ASSI { 24172}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 24172 weight  0.1000E+01 volume 6.66870 ppm1 0.506 ppm2 0.352
ASSI { 24202}
  (( segid "PROT" and resid 77  and name HB1  ))
  (( segid "PROT" and resid 14  and name HD1#  ))
     6 6 0 peak 24202 weight  0.1000E+01 volume 11.42940 ppm1 2.664 ppm2 0.351
ASSI { 24212}
  (( segid "PROT" and resid 18  and name HG  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 24212 weight  0.1000E+01 volume 4.86680 ppm1 1.555 ppm2 0.608
ASSI { 24222}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 24222 weight  0.1000E+01 volume 10.54410 ppm1 0.354 ppm2 0.612
ASSI { 24232}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 120  and name HD1#  ))
     6 6 0 peak 24232 weight  0.1000E+01 volume 28.06720 ppm1 0.508 ppm2 0.614
ASSI { 24242}
  (( segid "PROT" and resid 102  and name HB2  ))
  (( segid "PROT" and resid 102  and name HB1  ))
     6 6 0 peak 24242 weight  0.1000E+01 volume 14.47150 ppm1 2.712 ppm2 3.043
ASSI { 24252}
  (( segid "PROT" and resid 116  and name HG2#  ))
  (( segid "PROT" and resid 120  and name HG  ))
     6 6 0 peak 24252 weight  0.1000E+01 volume 5.94830 ppm1 0.767 ppm2 1.786
ASSI { 24262}
  (( segid "PROT" and resid 14  and name HA  ))
  (( segid "PROT" and resid 18  and name HG  ))
     6 6 0 peak 24262 weight  0.1000E+01 volume 4.35350 ppm1 3.792 ppm2 1.553
ASSI { 24272}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 59  and name HG  ))
     6 6 0 peak 24272 weight  0.1000E+01 volume 9.84710 ppm1 0.579 ppm2 1.559
ASSI { 24282}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 24282 weight  0.1000E+01 volume 5.45980 ppm1 0.670 ppm2 0.391
ASSI { 24292}
  (( segid "PROT" and resid 35  and name HB2  ))
  (( segid "PROT" and resid 105  and name HD1#  ))
     6 6 0 peak 24292 weight  0.1000E+01 volume 4.06190 ppm1 2.606 ppm2 0.390
ASSI { 24312}
  (( segid "PROT" and resid 19  and name HE#  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 24312 weight  0.1000E+01 volume 19.68150 ppm1 1.994 ppm2 1.083
ASSI { 24322}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 90  and name HD1#  ))
     6 6 0 peak 24322 weight  0.1000E+01 volume 27.21790 ppm1 0.444 ppm2 0.983
ASSI { 24332}
  (( segid "PROT" and resid 90  and name HB2  ))
  (( segid "PROT" and resid 90  and name HG  ))
     6 6 0 peak 24332 weight  0.1000E+01 volume 57.22740 ppm1 1.785 ppm2 1.406
ASSI { 24342}
  (( segid "PROT" and resid 64  and name HB1  ))
  (( segid "PROT" and resid 64  and name HG2  ))
     6 6 0 peak 24342 weight  0.1000E+01 volume 24.52140 ppm1 2.009 ppm2 1.510
ASSI { 24352}
  (( segid "PROT" and resid 64  and name HB2  ))
  (( segid "PROT" and resid 64  and name HG2  ))
     6 6 0 peak 24352 weight  0.1000E+01 volume 23.79320 ppm1 1.930 ppm2 1.504
ASSI { 24362}
  (( segid "PROT" and resid 68  and name HG2#  ))
  (( segid "PROT" and resid 64  and name HG2  ))
     6 6 0 peak 24362 weight  0.1000E+01 volume 14.16800 ppm1 1.224 ppm2 1.503
ASSI { 24392}
  (( segid "PROT" and resid 74  and name HD2  ))
  (( segid "PROT" and resid 74  and name HG2  ))
     6 6 0 peak 24392 weight  0.1000E+01 volume 7.98020 ppm1 2.750 ppm2 1.401
ASSI { 24402}
  (( segid "PROT" and resid 38  and name HB1  ))
  (( segid "PROT" and resid 38  and name HG1  ))
     6 6 0 peak 24402 weight  0.1000E+01 volume 29.49310 ppm1 2.280 ppm2 1.970
ASSI { 24412}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 34  and name HG2  ))
     6 6 0 peak 24412 weight  0.1000E+01 volume 3.43550 ppm1 7.351 ppm2 1.795
ASSI { 24422}
  (( segid "PROT" and resid 41  and name HG2  ))
  (( segid "PROT" and resid 41  and name HG1  ))
     6 6 0 peak 24422 weight  0.1000E+01 volume 20.79230 ppm1 1.097 ppm2 1.571
ASSI { 24432}
  (( segid "PROT" and resid 41  and name HG1  ))
  (( segid "PROT" and resid 41  and name HG2  ))
     6 6 0 peak 24432 weight  0.1000E+01 volume 25.13750 ppm1 1.568 ppm2 1.092
ASSI { 24442}
  (( segid "PROT" and resid 65  and name HB2  ))
  (( segid "PROT" and resid 65  and name HD2  ))
     6 6 0 peak 24442 weight  0.1000E+01 volume 3.31880 ppm1 0.564 ppm2 1.355
ASSI { 24452}
  (( segid "PROT" and resid 108  and name HA  ))
  (( segid "PROT" and resid 111  and name HB1  ))
     6 6 0 peak 24452 weight  0.1000E+01 volume 10.88250 ppm1 3.641 ppm2 2.266
ASSI { 24462}
  (( segid "PROT" and resid 108  and name HA  ))
  (( segid "PROT" and resid 111  and name HB2  ))
     6 6 0 peak 24462 weight  0.1000E+01 volume 11.51990 ppm1 3.643 ppm2 2.170
ASSI { 24492}
  (( segid "PROT" and resid 63  and name HG2  ))
  (( segid "PROT" and resid 63  and name HD1  ))
     6 6 0 peak 24492 weight  0.1000E+01 volume 35.49800 ppm1 1.179 ppm2 1.488
ASSI { 24502}
  (( segid "PROT" and resid 63  and name HB1  ))
  (( segid "PROT" and resid 63  and name HD1  ))
     6 6 0 peak 24502 weight  0.1000E+01 volume 54.81890 ppm1 1.991 ppm2 1.462
ASSI { 24512}
  (( segid "PROT" and resid 117  and name HG1  ))
  (( segid "PROT" and resid 113  and name HG11  ))
     6 6 0 peak 24512 weight  0.1000E+01 volume 1.94470 ppm1 2.596 ppm2 1.215
ASSI { 24522}
  (( segid "PROT" and resid 61  and name HA  ))
  (( segid "PROT" and resid 64  and name HB1  ))
     6 6 0 peak 24522 weight  0.1000E+01 volume 10.82280 ppm1 3.884 ppm2 1.990
ASSI { 24532}
  (( segid "PROT" and resid 64  and name HA  ))
  (( segid "PROT" and resid 64  and name HB2  ))
     6 6 0 peak 24532 weight  0.1000E+01 volume 17.87320 ppm1 4.164 ppm2 1.974
ASSI { 24542}
  (( segid "PROT" and resid 100  and name HA  ))
  (( segid "PROT" and resid 100  and name HD2  ))
     6 6 0 peak 24542 weight  0.1000E+01 volume 12.43480 ppm1 4.317 ppm2 1.632
ASSI { 24552}
  (( segid "PROT" and resid 112  and name HA  ))
  (( segid "PROT" and resid 112  and name HB2  ))
     6 6 0 peak 24552 weight  0.1000E+01 volume 9.48960 ppm1 4.125 ppm2 1.767
ASSI { 24562}
  (( segid "PROT" and resid 117  and name HG1  ))
  (( segid "PROT" and resid 117  and name HB2  ))
     6 6 0 peak 24562 weight  0.1000E+01 volume 14.40400 ppm1 2.599 ppm2 1.976
ASSI { 24572}
  (( segid "PROT" and resid 117  and name HG1  ))
  (( segid "PROT" and resid 117  and name HB1  ))
     6 6 0 peak 24572 weight  0.1000E+01 volume 11.70550 ppm1 2.601 ppm2 2.205
ASSI { 24582}
  (( segid "PROT" and resid 117  and name HA  ))
  (( segid "PROT" and resid 117  and name HB2  ))
     6 6 0 peak 24582 weight  0.1000E+01 volume 5.67950 ppm1 4.308 ppm2 1.973
ASSI { 24622}
  (( segid "PROT" and resid 34  and name HB2  ))
  (( segid "PROT" and resid 34  and name HG2  ))
     6 6 0 peak 24622 weight  0.1000E+01 volume 11.21550 ppm1 0.591 ppm2 1.820
ASSI { 24632}
  (( segid "PROT" and resid 34  and name HB2  ))
  (( segid "PROT" and resid 34  and name HG1  ))
     6 6 0 peak 24632 weight  0.1000E+01 volume 8.38080 ppm1 0.597 ppm2 1.977
ASSI { 24642}
  (( segid "PROT" and resid 84  and name HG1  ))
  (( segid "PROT" and resid 84  and name HG2  ))
     6 6 0 peak 24642 weight  0.1000E+01 volume 4.76620 ppm1 2.583 ppm2 1.823
ASSI { 24652}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 36  and name HG1  ))
     6 6 0 peak 24652 weight  0.1000E+01 volume 2.45240 ppm1 0.237 ppm2 2.183
ASSI { 24662}
  (( segid "PROT" and resid 36  and name HA  ))
  (( segid "PROT" and resid 36  and name HB2  ))
     6 6 0 peak 24662 weight  0.1000E+01 volume 5.99410 ppm1 3.935 ppm2 1.897
ASSI { 24672}
  (( segid "PROT" and resid 36  and name HD2  ))
  (( segid "PROT" and resid 36  and name HB2  ))
     6 6 0 peak 24672 weight  0.1000E+01 volume 1.08290 ppm1 3.049 ppm2 1.889
ASSI { 24682}
  (( segid "PROT" and resid 35  and name HB2  ))
  (( segid "PROT" and resid 35  and name HA  ))
     6 6 0 peak 24682 weight  0.1000E+01 volume 2.41880 ppm1 2.617 ppm2 4.752
ASSI { 24692}
  (( segid "PROT" and resid 58  and name HB1  ))
  (( segid "PROT" and resid 58  and name HA  ))
     6 6 0 peak 24692 weight  0.1000E+01 volume 8.41910 ppm1 2.590 ppm2 4.861
ASSI { 24702}
  (( segid "PROT" and resid 73  and name HG1  ))
  (( segid "PROT" and resid 73  and name HB1  ))
     6 6 0 peak 24702 weight  0.1000E+01 volume 8.81750 ppm1 2.435 ppm2 2.167
ASSI { 24712}
  (( segid "PROT" and resid 35  and name HD1  ))
  (( segid "PROT" and resid 84  and name HG2  ))
     6 6 0 peak 24712 weight  0.1000E+01 volume 3.67100 ppm1 7.409 ppm2 1.823
ASSI { 24722}
  (( segid "PROT" and resid 38  and name HA  ))
  (( segid "PROT" and resid 38  and name HB1  ))
     6 6 0 peak 24722 weight  0.1000E+01 volume 5.97680 ppm1 4.143 ppm2 2.272
ASSI { 24742}
  (( segid "PROT" and resid 76  and name HG2  ))
  (( segid "PROT" and resid 76  and name HG1  ))
     6 6 0 peak 24742 weight  0.1000E+01 volume 6.65380 ppm1 1.368 ppm2 1.885
ASSI { 24752}
  (( segid "PROT" and resid 7  and name HE1  ))
  (( segid "PROT" and resid 7  and name HB1  ))
     6 6 0 peak 24752 weight  0.1000E+01 volume 7.45220 ppm1 2.676 ppm2 1.600
ASSI { 24782}
  (( segid "PROT" and resid 19  and name HG1  ))
  (( segid "PROT" and resid 23  and name HG1  ))
     6 6 0 peak 24782 weight  0.1000E+01 volume 6.59280 ppm1 2.664 ppm2 2.319
ASSI { 24792}
  (( segid "PROT" and resid 19  and name HG2  ))
  (( segid "PROT" and resid 23  and name HG1  ))
     6 6 0 peak 24792 weight  0.1000E+01 volume 14.90250 ppm1 2.546 ppm2 2.318
ASSI { 24802}
  (( segid "PROT" and resid 14  and name HG  ))
  (( segid "PROT" and resid 13  and name HB1  ))
     6 6 0 peak 24802 weight  0.1000E+01 volume 3.93720 ppm1 1.555 ppm2 2.339
ASSI { 24812}
  (( segid "PROT" and resid 102  and name HB2  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 24812 weight  0.1000E+01 volume 18.51910 ppm1 2.706 ppm2 3.234
ASSI { 24822}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 24822 weight  0.1000E+01 volume 1.72060 ppm1 0.569 ppm2 3.237
ASSI { 24832}
  (( segid "PROT" and resid 99  and name HA  ))
  (( segid "PROT" and resid 102  and name HA  ))
     6 6 0 peak 24832 weight  0.1000E+01 volume 1.70400 ppm1 3.786 ppm2 3.238
ASSI { 24842}
  (( segid "PROT" and resid 101  and name HE1  ))
  (( segid "PROT" and resid 98  and name HA  ))
     6 6 0 peak 24842 weight  0.1000E+01 volume 2.06080 ppm1 7.338 ppm2 3.290
ASSI { 24872}
  (( segid "PROT" and resid 71  and name HB2  ))
  (( segid "PROT" and resid 71  and name HA  ))
     6 6 0 peak 24872 weight  0.1000E+01 volume 0.79590 ppm1 2.671 ppm2 4.772
ASSI { 24882}
  (( segid "PROT" and resid 77  and name HB1  ))
  (( segid "PROT" and resid 77  and name HB2  ))
     6 6 0 peak 24882 weight  0.1000E+01 volume 11.87790 ppm1 2.647 ppm2 1.773
ASSI { 24892}
  (( segid "PROT" and resid 31  and name HA  ))
  (( segid "PROT" and resid 31  and name HG2  ))
     6 6 0 peak 24892 weight  0.1000E+01 volume 3.26620 ppm1 2.581 ppm2 1.586
ASSI { 24902}
  (( segid "PROT" and resid 101  and name HB2  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 24902 weight  0.1000E+01 volume 1.55790 ppm1 3.660 ppm2 2.585
ASSI { 24912}
  (( segid "PROT" and resid 31  and name HB1  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 24912 weight  0.1000E+01 volume 3.55900 ppm1 1.634 ppm2 2.581
ASSI { 24922}
  (( segid "PROT" and resid 87  and name HB2  ))
  (( segid "PROT" and resid 87  and name HB1  ))
     6 6 0 peak 24922 weight  0.1000E+01 volume 10.31730 ppm1 2.752 ppm2 3.085
ASSI { 24932}
  (( segid "PROT" and resid 109  and name HA  ))
  (( segid "PROT" and resid 113  and name HB  ))
     6 6 0 peak 24932 weight  0.1000E+01 volume 2.61810 ppm1 4.008 ppm2 0.715
ASSI { 24942}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 24942 weight  0.1000E+01 volume 1.89400 ppm1 7.195 ppm2 0.705
ASSI { 24952}
  (( segid "PROT" and resid 49  and name HB1  ))
  (( segid "PROT" and resid 49  and name HB2  ))
     6 6 0 peak 24952 weight  0.1000E+01 volume 3.73060 ppm1 2.739 ppm2 1.981
ASSI { 24962}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 24962 weight  0.1000E+01 volume 1.50860 ppm1 6.928 ppm2 3.583
ASSI { 24972}
  (( segid "PROT" and resid 35  and name HB2  ))
  (( segid "PROT" and resid 35  and name HB1  ))
     6 6 0 peak 24972 weight  0.1000E+01 volume 10.10600 ppm1 2.616 ppm2 3.851
ASSI { 24982}
  (( segid "PROT" and resid 48  and name HB2  ))
  (( segid "PROT" and resid 48  and name HB1  ))
     6 6 0 peak 24982 weight  0.1000E+01 volume 9.59490 ppm1 2.622 ppm2 3.125
ASSI { 24992}
  (( segid "PROT" and resid 102  and name HB2  ))
  (( segid "PROT" and resid 99  and name HA  ))
     6 6 0 peak 24992 weight  0.1000E+01 volume 3.77320 ppm1 2.706 ppm2 3.778
ASSI { 25002}
  (( segid "PROT" and resid 92  and name HB1  ))
  (( segid "PROT" and resid 92  and name HB2  ))
     6 6 0 peak 25002 weight  0.1000E+01 volume 9.34230 ppm1 3.075 ppm2 2.871
ASSI { 25012}
  (( segid "PROT" and resid 92  and name HB2  ))
  (( segid "PROT" and resid 92  and name HA  ))
     6 6 0 peak 25012 weight  0.1000E+01 volume 0.73100 ppm1 2.874 ppm2 4.682
ASSI { 25022}
  (( segid "PROT" and resid 9  and name HB1  ))
  (( segid "PROT" and resid 14  and name HB1  ))
     6 6 0 peak 25022 weight  0.1000E+01 volume 5.80590 ppm1 2.863 ppm2 1.653
ASSI { 25032}
  (( segid "PROT" and resid 9  and name HB1  ))
  (( segid "PROT" and resid 14  and name HB2  ))
     6 6 0 peak 25032 weight  0.1000E+01 volume 2.33150 ppm1 2.862 ppm2 1.301
ASSI { 25042}
  (( segid "PROT" and resid 43  and name HD1#  ))
  (( segid "PROT" and resid 40  and name HB2  ))
     6 6 0 peak 25042 weight  0.1000E+01 volume 3.31050 ppm1 0.838 ppm2 2.384
ASSI { 25052}
  (( segid "PROT" and resid 9  and name HD1  ))
  (( segid "PROT" and resid 7  and name HE1  ))
     6 6 0 peak 25052 weight  0.1000E+01 volume 4.91220 ppm1 7.330 ppm2 2.675
ASSI { 25062}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 63  and name HE1  ))
     6 6 0 peak 25062 weight  0.1000E+01 volume 3.81360 ppm1 3.696 ppm2 2.801
ASSI { 25072}
  (( segid "PROT" and resid 65  and name HZ2  ))
  (( segid "PROT" and resid 66  and name HB2  ))
     6 6 0 peak 25072 weight  0.1000E+01 volume 2.04240 ppm1 6.790 ppm2 1.761
ASSI { 25082}
  (( segid "PROT" and resid 114  and name HB2  ))
  (( segid "PROT" and resid 115  and name HD2  ))
     6 6 0 peak 25082 weight  0.1000E+01 volume 19.86840 ppm1 2.690 ppm2 3.513
ASSI { 25092}
  (( segid "PROT" and resid 29  and name HB1  ))
  (( segid "PROT" and resid 29  and name HA  ))
     6 6 0 peak 25092 weight  0.1000E+01 volume 2.48940 ppm1 2.785 ppm2 4.721
ASSI { 25102}
  (( segid "PROT" and resid 73  and name HG1  ))
  (( segid "PROT" and resid 73  and name HA  ))
     6 6 0 peak 25102 weight  0.1000E+01 volume 1.66240 ppm1 2.437 ppm2 4.613
ASSI { 25112}
  (( segid "PROT" and resid 48  and name HB2  ))
  (( segid "PROT" and resid 48  and name HA  ))
     6 6 0 peak 25112 weight  0.1000E+01 volume 6.54580 ppm1 2.630 ppm2 4.603
ASSI { 25122}
  (( segid "PROT" and resid 10  and name HD1  ))
  (( segid "PROT" and resid 10  and name HA  ))
     6 6 0 peak 25122 weight  0.1000E+01 volume 1.05930 ppm1 1.767 ppm2 4.683
ASSI { 25132}
  (( segid "PROT" and resid 109  and name HB1  ))
  (( segid "PROT" and resid 106  and name HA  ))
     6 6 0 peak 25132 weight  0.1000E+01 volume 5.98930 ppm1 3.327 ppm2 3.433
ASSI { 25142}
  (( segid "PROT" and resid 17  and name HB#  ))
  (( segid "PROT" and resid 18  and name HA  ))
     6 6 0 peak 25142 weight  0.1000E+01 volume 7.76940 ppm1 1.363 ppm2 4.186
ASSI { 25152}
  (( segid "PROT" and resid 87  and name HB2  ))
  (( segid "PROT" and resid 87  and name HA  ))
     6 6 0 peak 25152 weight  0.1000E+01 volume 13.58930 ppm1 2.749 ppm2 4.456
ASSI { 25162}
  (( segid "PROT" and resid 90  and name HG  ))
  (( segid "PROT" and resid 87  and name HA  ))
     6 6 0 peak 25162 weight  0.1000E+01 volume 3.63720 ppm1 1.406 ppm2 4.447
ASSI { 25172}
  (( segid "PROT" and resid 51  and name HB2  ))
  (( segid "PROT" and resid 51  and name HA  ))
     6 6 0 peak 25172 weight  0.1000E+01 volume 16.19380 ppm1 2.682 ppm2 4.458
ASSI { 25182}
  (( segid "PROT" and resid 86  and name HB2  ))
  (( segid "PROT" and resid 86  and name HA  ))
     6 6 0 peak 25182 weight  0.1000E+01 volume 1.50550 ppm1 2.886 ppm2 4.805
ASSI { 25192}
  (( segid "PROT" and resid 79  and name HB2  ))
  (( segid "PROT" and resid 79  and name HA  ))
     6 6 0 peak 25192 weight  0.1000E+01 volume 7.25300 ppm1 2.710 ppm2 4.550
ASSI { 25212}
  (( segid "PROT" and resid 79  and name HB2  ))
  (( segid "PROT" and resid 76  and name HA  ))
     6 6 0 peak 25212 weight  0.1000E+01 volume 6.35490 ppm1 2.701 ppm2 3.880
ASSI { 25222}
  (( segid "PROT" and resid 118  and name HB2  ))
  (( segid "PROT" and resid 118  and name HA  ))
     6 6 0 peak 25222 weight  0.1000E+01 volume 23.56060 ppm1 2.062 ppm2 4.119
ASSI { 25232}
  (( segid "PROT" and resid 99  and name HE1  ))
  (( segid "PROT" and resid 94  and name HA  ))
     6 6 0 peak 25232 weight  0.1000E+01 volume 3.83450 ppm1 7.026 ppm2 2.177
ASSI { 25242}
  (( segid "PROT" and resid 19  and name HG1  ))
  (( segid "PROT" and resid 19  and name HA  ))
     6 6 0 peak 25242 weight  0.1000E+01 volume 3.56190 ppm1 2.671 ppm2 4.424
ASSI { 25252}
  (( segid "PROT" and resid 67  and name HB2  ))
  (( segid "PROT" and resid 64  and name HA  ))
     6 6 0 peak 25252 weight  0.1000E+01 volume 10.75260 ppm1 2.596 ppm2 4.169
ASSI { 25262}
  (( segid "PROT" and resid 64  and name HB1  ))
  (( segid "PROT" and resid 64  and name HA  ))
     6 6 0 peak 25262 weight  0.1000E+01 volume 23.37780 ppm1 1.938 ppm2 4.160
ASSI { 25272}
  (( segid "PROT" and resid 84  and name HG1  ))
  (( segid "PROT" and resid 84  and name HA  ))
     6 6 0 peak 25272 weight  0.1000E+01 volume 4.91500 ppm1 2.582 ppm2 3.648
ASSI { 25282}
  (( segid "PROT" and resid 87  and name HB1  ))
  (( segid "PROT" and resid 84  and name HA  ))
     6 6 0 peak 25282 weight  0.1000E+01 volume 2.59090 ppm1 3.078 ppm2 3.651
ASSI { 25292}
  (( segid "PROT" and resid 87  and name HB2  ))
  (( segid "PROT" and resid 84  and name HA  ))
     6 6 0 peak 25292 weight  0.1000E+01 volume 1.12750 ppm1 2.747 ppm2 3.651
ASSI { 25302}
  (( segid "PROT" and resid 84  and name HG2  ))
  (( segid "PROT" and resid 84  and name HA  ))
     6 6 0 peak 25302 weight  0.1000E+01 volume 4.27920 ppm1 1.836 ppm2 3.658
ASSI { 25312}
  (( segid "PROT" and resid 84  and name HB2  ))
  (( segid "PROT" and resid 84  and name HA  ))
     6 6 0 peak 25312 weight  0.1000E+01 volume 8.81800 ppm1 1.234 ppm2 3.642
ASSI { 25322}
  (( segid "PROT" and resid 85  and name HB1  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 25322 weight  0.1000E+01 volume 5.82030 ppm1 2.498 ppm2 3.980
ASSI { 25332}
  (( segid "PROT" and resid 91  and name HB2  ))
  (( segid "PROT" and resid 91  and name HA  ))
     6 6 0 peak 25332 weight  0.1000E+01 volume 14.68640 ppm1 2.903 ppm2 4.004
ASSI { 25342}
  (( segid "PROT" and resid 91  and name HB1  ))
  (( segid "PROT" and resid 91  and name HA  ))
     6 6 0 peak 25342 weight  0.1000E+01 volume 5.36340 ppm1 2.979 ppm2 4.006
ASSI { 25352}
  (( segid "PROT" and resid 52  and name HB  ))
  (( segid "PROT" and resid 53  and name HA  ))
     6 6 0 peak 25352 weight  0.1000E+01 volume 0.61060 ppm1 1.826 ppm2 3.536
ASSI { 25362}
  (( segid "PROT" and resid 58  and name HB1  ))
  (( segid "PROT" and resid 38  and name HA  ))
     6 6 0 peak 25362 weight  0.1000E+01 volume 3.06930 ppm1 2.597 ppm2 4.141
ASSI { 25372}
  (( segid "PROT" and resid 39  and name HG1#  ))
  (( segid "PROT" and resid 38  and name HA  ))
     6 6 0 peak 25372 weight  0.1000E+01 volume 1.85200 ppm1 0.736 ppm2 4.138
ASSI { 25382}
  (( segid "PROT" and resid 38  and name HA  ))
  (( segid "PROT" and resid 58  and name HB1  ))
     6 6 0 peak 25382 weight  0.1000E+01 volume 1.60870 ppm1 4.139 ppm2 2.601
ASSI { 25392}
  (( segid "PROT" and resid 38  and name HA  ))
  (( segid "PROT" and resid 58  and name HB2  ))
     6 6 0 peak 25392 weight  0.1000E+01 volume 0.16690 ppm1 4.133 ppm2 2.305
ASSI { 25402}
  (( segid "PROT" and resid 41  and name HB1  ))
  (( segid "PROT" and resid 47  and name HA  ))
     6 6 0 peak 25402 weight  0.1000E+01 volume 2.91930 ppm1 2.309 ppm2 4.051
ASSI { 25412}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 32  and name HB2  ))
     6 6 0 peak 25412 weight  0.1000E+01 volume 1.01840 ppm1 0.398 ppm2 3.656
ASSI { 25422}
  (( segid "PROT" and resid 62  and name HG2#  ))
  (( segid "PROT" and resid 81  and name HA  ))
     6 6 0 peak 25422 weight  0.1000E+01 volume 3.03390 ppm1 1.111 ppm2 2.476
ASSI { 25432}
  (( segid "PROT" and resid 22  and name HD2#  ))
  (( segid "PROT" and resid 21  and name HB  ))
     6 6 0 peak 25432 weight  0.1000E+01 volume 2.44900 ppm1 1.038 ppm2 4.194
ASSI { 25442}
  (( segid "PROT" and resid 19  and name HG1  ))
  (( segid "PROT" and resid 19  and name HB1  ))
     6 6 0 peak 25442 weight  0.1000E+01 volume 19.27600 ppm1 2.669 ppm2 2.228
ASSI { 25452}
  (( segid "PROT" and resid 31  and name HA  ))
  (( segid "PROT" and resid 31  and name HB1  ))
     6 6 0 peak 25452 weight  0.1000E+01 volume 3.03560 ppm1 2.589 ppm2 1.632
ASSI { 25462}
  (( segid "PROT" and resid 38  and name HD2  ))
  (( segid "PROT" and resid 37  and name HB1  ))
     6 6 0 peak 25462 weight  0.1000E+01 volume 4.31960 ppm1 3.469 ppm2 2.194
ASSI { 25472}
  (( segid "PROT" and resid 38  and name HD2  ))
  (( segid "PROT" and resid 38  and name HB2  ))
     6 6 0 peak 25472 weight  0.1000E+01 volume 0.23860 ppm1 3.449 ppm2 1.648
ASSI { 25482}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 44  and name HD2#  ))
     6 6 0 peak 25482 weight  0.1000E+01 volume 5.75790 ppm1 -0.366 ppm2 0.823
ASSI { 25492}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 39  and name HB  ))
     6 6 0 peak 25492 weight  0.1000E+01 volume 5.59400 ppm1 6.152 ppm2 1.471
ASSI { 25502}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 56  and name HA  ))
     6 6 0 peak 25502 weight  0.1000E+01 volume 1.37350 ppm1 0.447 ppm2 4.134
ASSI { 25512}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 56  and name HG1  ))
     6 6 0 peak 25512 weight  0.1000E+01 volume 2.48720 ppm1 6.155 ppm2 2.136
ASSI { 25522}
  (( segid "PROT" and resid 51  and name HA  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 25522 weight  0.1000E+01 volume 2.36120 ppm1 4.463 ppm2 0.880
ASSI { 25532}
  (( segid "PROT" and resid 48  and name HB2  ))
  (( segid "PROT" and resid 52  and name HD1#  ))
     6 6 0 peak 25532 weight  0.1000E+01 volume 7.19500 ppm1 2.642 ppm2 0.882
ASSI { 25542}
  (( segid "PROT" and resid 6  and name HG2  ))
  (( segid "PROT" and resid 8  and name HD1#  ))
     6 6 0 peak 25542 weight  0.1000E+01 volume 8.04000 ppm1 1.282 ppm2 0.824
ASSI { 25572}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 113  and name HD1#  ))
     6 6 0 peak 25572 weight  0.1000E+01 volume 1.32300 ppm1 -0.256 ppm2 0.883
ASSI { 25582}
  (( segid "PROT" and resid 74  and name HA  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 25582 weight  0.1000E+01 volume 2.63010 ppm1 3.777 ppm2 1.470
ASSI { 25612}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 25612 weight  0.1000E+01 volume 1.54740 ppm1 0.663 ppm2 1.469
ASSI { 25622}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 117  and name HE#  ))
     6 6 0 peak 25622 weight  0.1000E+01 volume 0.86500 ppm1 0.241 ppm2 1.475
ASSI { 25632}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 25632 weight  0.1000E+01 volume 1.85660 ppm1 6.611 ppm2 2.013
ASSI { 25642}
  (( segid "PROT" and resid 19  and name HG2  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 25642 weight  0.1000E+01 volume 9.23690 ppm1 2.555 ppm2 2.017
ASSI { 25652}
  (( segid "PROT" and resid 66  and name HG  ))
  (( segid "PROT" and resid 19  and name HE#  ))
     6 6 0 peak 25652 weight  0.1000E+01 volume 10.89450 ppm1 1.750 ppm2 2.017
ASSI { 25662}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 84  and name HE#  ))
     6 6 0 peak 25662 weight  0.1000E+01 volume 2.67010 ppm1 0.387 ppm2 1.223
ASSI { 25672}
  (( segid "PROT" and resid 108  and name HA  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 25672 weight  0.1000E+01 volume 2.22930 ppm1 3.639 ppm2 1.409
ASSI { 25682}
  (( segid "PROT" and resid 108  and name HB  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 25682 weight  0.1000E+01 volume 2.43230 ppm1 2.140 ppm2 1.410
ASSI { 25692}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 24  and name HB#  ))
     6 6 0 peak 25692 weight  0.1000E+01 volume 7.28410 ppm1 0.955 ppm2 1.411
ASSI { 25712}
  (( segid "PROT" and resid 82  and name HE3  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 25712 weight  0.1000E+01 volume 2.46610 ppm1 7.886 ppm2 0.918
ASSI { 25722}
  (( segid "PROT" and resid 85  and name HB1  ))
  (( segid "PROT" and resid 106  and name HB#  ))
     6 6 0 peak 25722 weight  0.1000E+01 volume 4.20140 ppm1 2.498 ppm2 0.918
ASSI { 25732}
  (( segid "PROT" and resid 73  and name HG1  ))
  (( segid "PROT" and resid 8  and name HG2#  ))
     6 6 0 peak 25732 weight  0.1000E+01 volume 3.58250 ppm1 2.442 ppm2 0.858
ASSI { 25742}
  (( segid "PROT" and resid 73  and name HG2  ))
  (( segid "PROT" and resid 8  and name HG2#  ))
     6 6 0 peak 25742 weight  0.1000E+01 volume 1.72080 ppm1 2.247 ppm2 0.860
ASSI { 25752}
  (( segid "PROT" and resid 85  and name HB1  ))
  (( segid "PROT" and resid 88  and name HB#  ))
     6 6 0 peak 25752 weight  0.1000E+01 volume 4.40080 ppm1 2.518 ppm2 1.744
ASSI { 25762}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 25762 weight  0.1000E+01 volume 5.32240 ppm1 0.235 ppm2 1.169
ASSI { 25792}
  (( segid "PROT" and resid 81  and name HB  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 25792 weight  0.1000E+01 volume 5.01040 ppm1 0.842 ppm2 1.167
ASSI { 25802}
  (( segid "PROT" and resid 80  and name HB1  ))
  (( segid "PROT" and resid 62  and name HG2#  ))
     6 6 0 peak 25802 weight  0.1000E+01 volume 2.27190 ppm1 2.790 ppm2 1.169
ASSI { 25822}
  (( segid "PROT" and resid 116  and name HA  ))
  (( segid "PROT" and resid 17  and name HB#  ))
     6 6 0 peak 25822 weight  0.1000E+01 volume 3.93010 ppm1 3.683 ppm2 1.335
ASSI { 25862}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 25862 weight  0.1000E+01 volume 2.03470 ppm1 7.476 ppm2 0.712
ASSI { 25872}
  (( segid "PROT" and resid 82  and name HZ2  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 25872 weight  0.1000E+01 volume 1.94330 ppm1 7.722 ppm2 0.717
ASSI { 25882}
  (( segid "PROT" and resid 116  and name HB  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 25882 weight  0.1000E+01 volume 6.24590 ppm1 2.059 ppm2 0.725
ASSI { 25892}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 25892 weight  0.1000E+01 volume 6.73910 ppm1 1.038 ppm2 0.718
ASSI { 25902}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 113  and name HG2#  ))
     6 6 0 peak 25902 weight  0.1000E+01 volume 0.77680 ppm1 -1.493 ppm2 0.718
ASSI { 25912}
  (( segid "PROT" and resid 41  and name HD1  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 25912 weight  0.1000E+01 volume 5.16440 ppm1 3.800 ppm2 -0.367
ASSI { 25922}
  (( segid "PROT" and resid 49  and name HD1  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 25922 weight  0.1000E+01 volume 3.49580 ppm1 5.422 ppm2 -0.371
ASSI { 25932}
  (( segid "PROT" and resid 49  and name HB1  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 25932 weight  0.1000E+01 volume 1.97970 ppm1 2.769 ppm2 -0.370
ASSI { 25942}
  (( segid "PROT" and resid 49  and name HB2  ))
  (( segid "PROT" and resid 39  and name HG2#  ))
     6 6 0 peak 25942 weight  0.1000E+01 volume 2.18700 ppm1 1.979 ppm2 -0.369
ASSI { 25962}
  (( segid "PROT" and resid 106  and name HA  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 25962 weight  0.1000E+01 volume 2.86600 ppm1 3.418 ppm2 -1.498
ASSI { 25972}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 25972 weight  0.1000E+01 volume 1.48330 ppm1 6.615 ppm2 -1.494
ASSI { 25982}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 81  and name HG2#  ))
     6 6 0 peak 25982 weight  0.1000E+01 volume 2.59310 ppm1 7.474 ppm2 -1.492
ASSI { 25992}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 81  and name HG1#  ))
     6 6 0 peak 25992 weight  0.1000E+01 volume 1.44200 ppm1 7.476 ppm2 -0.254
ASSI { 26002}
  (( segid "PROT" and resid 15  and name HA  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 26002 weight  0.1000E+01 volume 2.25830 ppm1 3.680 ppm2 0.508
ASSI { 26012}
  (( segid "PROT" and resid 77  and name HB1  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 26012 weight  0.1000E+01 volume 3.10370 ppm1 2.650 ppm2 0.506
ASSI { 26022}
  (( segid "PROT" and resid 116  and name HB  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 26022 weight  0.1000E+01 volume 2.42910 ppm1 2.070 ppm2 0.510
ASSI { 26032}
  (( segid "PROT" and resid 21  and name HG2#  ))
  (( segid "PROT" and resid 18  and name HD2#  ))
     6 6 0 peak 26032 weight  0.1000E+01 volume 10.50310 ppm1 1.312 ppm2 0.506
ASSI { 26042}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 26042 weight  0.1000E+01 volume 32.70560 ppm1 0.660 ppm2 0.775
ASSI { 26052}
  (( segid "PROT" and resid 120  and name HA  ))
  (( segid "PROT" and resid 116  and name HG2#  ))
     6 6 0 peak 26052 weight  0.1000E+01 volume 2.02120 ppm1 4.435 ppm2 0.769
ASSI { 26082}
  (( segid "PROT" and resid 65  and name HE1  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 26082 weight  0.1000E+01 volume 2.97960 ppm1 2.391 ppm2 1.138
ASSI { 26092}
  (( segid "PROT" and resid 65  and name HG2  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 26092 weight  0.1000E+01 volume 6.95210 ppm1 0.732 ppm2 1.133
ASSI { 26102}
  (( segid "PROT" and resid 65  and name HB2  ))
  (( segid "PROT" and resid 61  and name HG2#  ))
     6 6 0 peak 26102 weight  0.1000E+01 volume 3.53230 ppm1 0.564 ppm2 1.137
ASSI { 26112}
  (( segid "PROT" and resid 34  and name HA  ))
  (( segid "PROT" and resid 33  and name HD2#  ))
     6 6 0 peak 26112 weight  0.1000E+01 volume 4.89860 ppm1 4.360 ppm2 0.825
ASSI { 26122}
  (( segid "PROT" and resid 43  and name HA  ))
  (( segid "PROT" and resid 44  and name HD2#  ))
     6 6 0 peak 26122 weight  0.1000E+01 volume 1.87200 ppm1 4.010 ppm2 0.819
ASSI { 26172}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 108  and name HG1#  ))
     6 6 0 peak 26172 weight  0.1000E+01 volume 3.75830 ppm1 0.394 ppm2 0.959
ASSI { 26182}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 26182 weight  0.1000E+01 volume 3.83700 ppm1 -0.256 ppm2 1.262
ASSI { 26192}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 78  and name HG1#  ))
     6 6 0 peak 26192 weight  0.1000E+01 volume 2.65890 ppm1 6.734 ppm2 1.268
ASSI { 26212}
  (( segid "PROT" and resid 35  and name HZ  ))
  (( segid "PROT" and resid 98  and name HG1#  ))
     6 6 0 peak 26212 weight  0.1000E+01 volume 5.09730 ppm1 7.034 ppm2 0.817
ASSI { 26222}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 98  and name HG1#  ))
     6 6 0 peak 26222 weight  0.1000E+01 volume 6.91380 ppm1 7.358 ppm2 0.811
ASSI { 26232}
  (( segid "PROT" and resid 119  and name HB1  ))
  (( segid "PROT" and resid 120  and name HD2#  ))
     6 6 0 peak 26232 weight  0.1000E+01 volume 1.88060 ppm1 4.031 ppm2 0.659
ASSI { 26242}
  (( segid "PROT" and resid 98  and name HA  ))
  (( segid "PROT" and resid 98  and name HG1#  ))
     6 6 0 peak 26242 weight  0.1000E+01 volume 7.33340 ppm1 3.286 ppm2 0.815
ASSI { 26252}
  (( segid "PROT" and resid 98  and name HA  ))
  (( segid "PROT" and resid 98  and name HB  ))
     6 6 0 peak 26252 weight  0.1000E+01 volume 2.96820 ppm1 3.290 ppm2 1.661
ASSI { 26292}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 26292 weight  0.1000E+01 volume 2.76000 ppm1 -1.493 ppm2 1.108
ASSI { 26302}
  (( segid "PROT" and resid 117  and name HG2  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 26302 weight  0.1000E+01 volume 4.96990 ppm1 2.507 ppm2 1.112
ASSI { 26312}
  (( segid "PROT" and resid 117  and name HA  ))
  (( segid "PROT" and resid 78  and name HG2#  ))
     6 6 0 peak 26312 weight  0.1000E+01 volume 3.87960 ppm1 4.310 ppm2 1.106
ASSI { 26342}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 26342 weight  0.1000E+01 volume 7.41110 ppm1 7.189 ppm2 0.897
ASSI { 26362}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 25  and name HD2#  ))
     6 6 0 peak 26362 weight  0.1000E+01 volume 1.86840 ppm1 0.238 ppm2 0.896
ASSI { 26382}
  (( segid "PROT" and resid 77  and name HB1  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 26382 weight  0.1000E+01 volume 20.60780 ppm1 2.670 ppm2 0.262
ASSI { 26392}
  (( segid "PROT" and resid 13  and name HB1  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 26392 weight  0.1000E+01 volume 4.00850 ppm1 2.431 ppm2 0.266
ASSI { 26402}
  (( segid "PROT" and resid 13  and name HB2  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 26402 weight  0.1000E+01 volume 7.09220 ppm1 2.196 ppm2 0.265
ASSI { 26412}
  (( segid "PROT" and resid 74  and name HB1  ))
  (( segid "PROT" and resid 14  and name HD2#  ))
     6 6 0 peak 26412 weight  0.1000E+01 volume 27.24390 ppm1 1.783 ppm2 0.262
ASSI { 26422}
  (( segid "PROT" and resid 40  and name HA  ))
  (( segid "PROT" and resid 43  and name HD1#  ))
     6 6 0 peak 26422 weight  0.1000E+01 volume 2.03200 ppm1 5.090 ppm2 0.856
ASSI { 26432}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 104  and name HG1  ))
     6 6 0 peak 26432 weight  0.1000E+01 volume 1.67800 ppm1 0.570 ppm2 1.477
ASSI { 26442}
  (( segid "PROT" and resid 63  and name HA  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 26442 weight  0.1000E+01 volume 3.56310 ppm1 3.702 ppm2 1.101
ASSI { 26462}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 26462 weight  0.1000E+01 volume 2.41580 ppm1 -1.492 ppm2 1.101
ASSI { 26472}
  (( segid "PROT" and resid 25  and name HG  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 26472 weight  0.1000E+01 volume 3.55390 ppm1 2.380 ppm2 1.102
ASSI { 26502}
  (( segid "PROT" and resid 30  and name HD1  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 26502 weight  0.1000E+01 volume 3.22450 ppm1 3.350 ppm2 0.974
ASSI { 26512}
  (( segid "PROT" and resid 36  and name HD1  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 26512 weight  0.1000E+01 volume 1.68580 ppm1 3.205 ppm2 0.974
ASSI { 26522}
  (( segid "PROT" and resid 36  and name HD2  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 26522 weight  0.1000E+01 volume 2.67690 ppm1 3.046 ppm2 0.971
ASSI { 26532}
  (( segid "PROT" and resid 29  and name HB1  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 26532 weight  0.1000E+01 volume 2.41390 ppm1 2.780 ppm2 0.970
ASSI { 26542}
  (( segid "PROT" and resid 29  and name HB2  ))
  (( segid "PROT" and resid 33  and name HD1#  ))
     6 6 0 peak 26542 weight  0.1000E+01 volume 6.08120 ppm1 2.252 ppm2 0.968
ASSI { 26582}
  (( segid "PROT" and resid 25  and name HB1  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 26582 weight  0.1000E+01 volume 3.91570 ppm1 2.297 ppm2 0.235
ASSI { 26592}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 59  and name HD1#  ))
     6 6 0 peak 26592 weight  0.1000E+01 volume 3.25260 ppm1 0.890 ppm2 0.231
ASSI { 26602}
  (( segid "PROT" and resid 41  and name HA  ))
  (( segid "PROT" and resid 46  and name HG11  ))
     6 6 0 peak 26602 weight  0.1000E+01 volume 1.70800 ppm1 3.646 ppm2 1.697
ASSI { 26612}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 100  and name HG2  ))
     6 6 0 peak 26612 weight  0.1000E+01 volume 3.57270 ppm1 7.127 ppm2 1.593
ASSI { 26622}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 26622 weight  0.1000E+01 volume 7.82020 ppm1 0.510 ppm2 0.730
ASSI { 26632}
  (( segid "PROT" and resid 63  and name HE1  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 26632 weight  0.1000E+01 volume 4.48540 ppm1 2.774 ppm2 0.741
ASSI { 26642}
  (( segid "PROT" and resid 19  and name HG1  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 26642 weight  0.1000E+01 volume 8.02890 ppm1 2.666 ppm2 0.741
ASSI { 26652}
  (( segid "PROT" and resid 19  and name HG2  ))
  (( segid "PROT" and resid 66  and name HD1#  ))
     6 6 0 peak 26652 weight  0.1000E+01 volume 1.99900 ppm1 2.557 ppm2 0.741
ASSI { 26672}
  (( segid "PROT" and resid 55  and name HA  ))
  (( segid "PROT" and resid 83  and name HD1#  ))
     6 6 0 peak 26672 weight  0.1000E+01 volume 2.32530 ppm1 5.246 ppm2 0.887
ASSI { 26682}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 18  and name HG  ))
     6 6 0 peak 26682 weight  0.1000E+01 volume 1.60200 ppm1 6.608 ppm2 1.547
ASSI { 26692}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 22  and name HD1#  ))
     6 6 0 peak 26692 weight  0.1000E+01 volume 2.06690 ppm1 0.234 ppm2 1.089
ASSI { 26702}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 22  and name HD2#  ))
     6 6 0 peak 26702 weight  0.1000E+01 volume 0.74580 ppm1 -0.255 ppm2 1.090
ASSI { 26712}
  (( segid "PROT" and resid 101  and name HZ  ))
  (( segid "PROT" and resid 97  and name HG2  ))
     6 6 0 peak 26712 weight  0.1000E+01 volume 2.85960 ppm1 7.137 ppm2 0.663
ASSI { 26722}
  (( segid "PROT" and resid 9  and name HD1  ))
  (( segid "PROT" and resid 14  and name HG  ))
     6 6 0 peak 26722 weight  0.1000E+01 volume 3.47900 ppm1 7.330 ppm2 1.402
ASSI { 26732}
  (( segid "PROT" and resid 44  and name HD1#  ))
  (( segid "PROT" and resid 44  and name HG  ))
     6 6 0 peak 26732 weight  0.1000E+01 volume 23.28610 ppm1 0.746 ppm2 1.699
ASSI { 26742}
  (( segid "PROT" and resid 40  and name HB1  ))
  (( segid "PROT" and resid 43  and name HG  ))
     6 6 0 peak 26742 weight  0.1000E+01 volume 4.75960 ppm1 2.936 ppm2 1.498
ASSI { 26752}
  (( segid "PROT" and resid 40  and name HB2  ))
  (( segid "PROT" and resid 43  and name HG  ))
     6 6 0 peak 26752 weight  0.1000E+01 volume 5.64820 ppm1 2.382 ppm2 1.490
ASSI { 26762}
  (( segid "PROT" and resid 78  and name HB  ))
  (( segid "PROT" and resid 75  and name HB1  ))
     6 6 0 peak 26762 weight  0.1000E+01 volume 1.53930 ppm1 2.260 ppm2 3.619
ASSI { 26772}
  (( segid "PROT" and resid 78  and name HB  ))
  (( segid "PROT" and resid 75  and name HB2  ))
     6 6 0 peak 26772 weight  0.1000E+01 volume 2.02220 ppm1 2.273 ppm2 3.277
ASSI { 26782}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 41  and name HG1  ))
     6 6 0 peak 26782 weight  0.1000E+01 volume 2.88310 ppm1 -0.368 ppm2 1.574
ASSI { 26792}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 104  and name HD2  ))
     6 6 0 peak 26792 weight  0.1000E+01 volume 3.39610 ppm1 7.098 ppm2 1.621
ASSI { 26812}
  (( segid "PROT" and resid 114  and name HB2  ))
  (( segid "PROT" and resid 115  and name HG1  ))
     6 6 0 peak 26812 weight  0.1000E+01 volume 14.44850 ppm1 2.689 ppm2 2.044
ASSI { 26822}
  (( segid "PROT" and resid 114  and name HB1  ))
  (( segid "PROT" and resid 115  and name HG1  ))
     6 6 0 peak 26822 weight  0.1000E+01 volume 5.60100 ppm1 2.840 ppm2 2.045
ASSI { 26832}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 115  and name HG1  ))
     6 6 0 peak 26832 weight  0.1000E+01 volume 16.21050 ppm1 1.038 ppm2 2.039
ASSI { 26842}
  (( segid "PROT" and resid 82  and name HE3  ))
  (( segid "PROT" and resid 82  and name HB2  ))
     6 6 0 peak 26842 weight  0.1000E+01 volume 1.64690 ppm1 7.896 ppm2 3.106
ASSI { 26852}
  (( segid "PROT" and resid 70  and name HG1  ))
  (( segid "PROT" and resid 70  and name HB2  ))
     6 6 0 peak 26852 weight  0.1000E+01 volume 6.00170 ppm1 2.266 ppm2 1.085
ASSI { 26862}
  (( segid "PROT" and resid 65  and name HA  ))
  (( segid "PROT" and resid 65  and name HD1  ))
     6 6 0 peak 26862 weight  0.1000E+01 volume 1.66790 ppm1 3.415 ppm2 1.539
ASSI { 26872}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 111  and name HB1  ))
     6 6 0 peak 26872 weight  0.1000E+01 volume 1.51600 ppm1 0.958 ppm2 2.268
ASSI { 26882}
  (( segid "PROT" and resid 108  and name HG2#  ))
  (( segid "PROT" and resid 111  and name HB1  ))
     6 6 0 peak 26882 weight  0.1000E+01 volume 2.34050 ppm1 0.866 ppm2 2.271
ASSI { 26892}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 100  and name HD1  ))
     6 6 0 peak 26892 weight  0.1000E+01 volume 2.57960 ppm1 7.120 ppm2 1.699
ASSI { 26902}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 100  and name HD2  ))
     6 6 0 peak 26902 weight  0.1000E+01 volume 1.01950 ppm1 7.123 ppm2 1.646
ASSI { 26912}
  (( segid "PROT" and resid 9  and name HD1  ))
  (( segid "PROT" and resid 13  and name HB1  ))
     6 6 0 peak 26912 weight  0.1000E+01 volume 4.44960 ppm1 7.334 ppm2 2.404
ASSI { 26922}
  (( segid "PROT" and resid 9  and name HD1  ))
  (( segid "PROT" and resid 13  and name HB2  ))
     6 6 0 peak 26922 weight  0.1000E+01 volume 4.49870 ppm1 7.326 ppm2 2.200
ASSI { 26932}
  (( segid "PROT" and resid 82  and name HZ2  ))
  (( segid "PROT" and resid 110  and name HB2  ))
     6 6 0 peak 26932 weight  0.1000E+01 volume 2.00600 ppm1 7.717 ppm2 2.155
ASSI { 26942}
  (( segid "PROT" and resid 82  and name HH2  ))
  (( segid "PROT" and resid 110  and name HB2  ))
     6 6 0 peak 26942 weight  0.1000E+01 volume 2.25430 ppm1 7.486 ppm2 2.204
ASSI { 26952}
  (( segid "PROT" and resid 82  and name HH2  ))
  (( segid "PROT" and resid 110  and name HB1  ))
     6 6 0 peak 26952 weight  0.1000E+01 volume 0.93760 ppm1 7.493 ppm2 2.378
ASSI { 26962}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 62  and name HG11  ))
     6 6 0 peak 26962 weight  0.1000E+01 volume 3.36610 ppm1 0.736 ppm2 1.861
ASSI { 26972}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 81  and name HB  ))
     6 6 0 peak 26972 weight  0.1000E+01 volume 2.31490 ppm1 7.185 ppm2 0.869
ASSI { 26982}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 62  and name HG11  ))
     6 6 0 peak 26982 weight  0.1000E+01 volume 6.50340 ppm1 0.836 ppm2 1.863
ASSI { 27002}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 36  and name HB1  ))
     6 6 0 peak 27002 weight  0.1000E+01 volume 1.01800 ppm1 0.236 ppm2 2.117
ASSI { 27012}
  (( segid "PROT" and resid 36  and name HD1  ))
  (( segid "PROT" and resid 36  and name HB1  ))
     6 6 0 peak 27012 weight  0.1000E+01 volume 2.19090 ppm1 3.205 ppm2 2.129
ASSI { 27022}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 36  and name HD1  ))
     6 6 0 peak 27022 weight  0.1000E+01 volume 1.97530 ppm1 0.233 ppm2 3.193
ASSI { 27032}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 36  and name HD2  ))
     6 6 0 peak 27032 weight  0.1000E+01 volume 1.24110 ppm1 0.238 ppm2 3.050
ASSI { 27042}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 36  and name HB2  ))
     6 6 0 peak 27042 weight  0.1000E+01 volume 1.08520 ppm1 6.613 ppm2 1.904
ASSI { 27052}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 115  and name HB2  ))
     6 6 0 peak 27052 weight  0.1000E+01 volume 2.68880 ppm1 1.037 ppm2 1.855
ASSI { 27062}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 115  and name HB1  ))
     6 6 0 peak 27062 weight  0.1000E+01 volume 1.22980 ppm1 1.037 ppm2 2.273
ASSI { 27072}
  (( segid "PROT" and resid 104  and name HE1  ))
  (( segid "PROT" and resid 104  and name HB1  ))
     6 6 0 peak 27072 weight  0.1000E+01 volume 2.68210 ppm1 2.828 ppm2 2.040
ASSI { 27082}
  (( segid "PROT" and resid 75  and name HE3  ))
  (( segid "PROT" and resid 78  and name HB  ))
     6 6 0 peak 27082 weight  0.1000E+01 volume 2.33290 ppm1 7.543 ppm2 2.264
ASSI { 27092}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 78  and name HB  ))
     6 6 0 peak 27092 weight  0.1000E+01 volume 3.26910 ppm1 7.475 ppm2 2.264
ASSI { 27112}
  (( segid "PROT" and resid 99  and name HD1  ))
  (( segid "PROT" and resid 94  and name HB1  ))
     6 6 0 peak 27112 weight  0.1000E+01 volume 6.06680 ppm1 7.120 ppm2 1.389
ASSI { 27122}
  (( segid "PROT" and resid 99  and name HE1  ))
  (( segid "PROT" and resid 94  and name HB1  ))
     6 6 0 peak 27122 weight  0.1000E+01 volume 3.97070 ppm1 7.029 ppm2 1.388
ASSI { 27132}
  (( segid "PROT" and resid 108  and name HG2#  ))
  (( segid "PROT" and resid 28  and name HG1  ))
     6 6 0 peak 27132 weight  0.1000E+01 volume 4.93780 ppm1 0.885 ppm2 2.807
ASSI { 27142}
  (( segid "PROT" and resid 28  and name HA  ))
  (( segid "PROT" and resid 28  and name HB2  ))
     6 6 0 peak 27142 weight  0.1000E+01 volume 14.30950 ppm1 4.115 ppm2 2.049
ASSI { 27162}
  (( segid "PROT" and resid 56  and name HD1  ))
  (( segid "PROT" and resid 56  and name HB1  ))
     6 6 0 peak 27162 weight  0.1000E+01 volume 2.57870 ppm1 3.692 ppm2 2.438
ASSI { 27172}
  (( segid "PROT" and resid 41  and name HD2  ))
  (( segid "PROT" and resid 41  and name HB2  ))
     6 6 0 peak 27172 weight  0.1000E+01 volume 2.81020 ppm1 3.725 ppm2 1.735
ASSI { 27192}
  (( segid "PROT" and resid 6  and name HE1  ))
  (( segid "PROT" and resid 6  and name HB1  ))
     6 6 0 peak 27192 weight  0.1000E+01 volume 11.63550 ppm1 2.929 ppm2 1.756
ASSI { 27202}
  (( segid "PROT" and resid 6  and name HG2  ))
  (( segid "PROT" and resid 6  and name HB1  ))
     6 6 0 peak 27202 weight  0.1000E+01 volume 31.33970 ppm1 1.300 ppm2 1.759
ASSI { 27212}
  (( segid "PROT" and resid 6  and name HG1  ))
  (( segid "PROT" and resid 6  and name HB1  ))
     6 6 0 peak 27212 weight  0.1000E+01 volume 11.80130 ppm1 1.390 ppm2 1.725
ASSI { 27222}
  (( segid "PROT" and resid 6  and name HE1  ))
  (( segid "PROT" and resid 6  and name HA  ))
     6 6 0 peak 27222 weight  0.1000E+01 volume 6.11840 ppm1 2.926 ppm2 4.271
ASSI { 27232}
  (( segid "PROT" and resid 6  and name HG1  ))
  (( segid "PROT" and resid 6  and name HA  ))
     6 6 0 peak 27232 weight  0.1000E+01 volume 24.68540 ppm1 1.384 ppm2 4.272
ASSI { 27252}
  (( segid "PROT" and resid 41  and name HB2  ))
  (( segid "PROT" and resid 42  and name HG1  ))
     6 6 0 peak 27252 weight  0.1000E+01 volume 4.46550 ppm1 1.732 ppm2 2.362
ASSI { 27262}
  (( segid "PROT" and resid 41  and name HG1  ))
  (( segid "PROT" and resid 42  and name HG1  ))
     6 6 0 peak 27262 weight  0.1000E+01 volume 3.55580 ppm1 1.580 ppm2 2.363
ASSI { 27282}
  (( segid "PROT" and resid 68  and name HG2#  ))
  (( segid "PROT" and resid 70  and name HG1  ))
     6 6 0 peak 27282 weight  0.1000E+01 volume 5.14050 ppm1 1.224 ppm2 2.239
ASSI { 27292}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 72  and name HG1  ))
     6 6 0 peak 27292 weight  0.1000E+01 volume 1.81570 ppm1 0.353 ppm2 2.430
ASSI { 27302}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 72  and name HG1  ))
     6 6 0 peak 27302 weight  0.1000E+01 volume 0.78020 ppm1 0.266 ppm2 2.423
ASSI { 27322}
  (( segid "PROT" and resid 74  and name HD1  ))
  (( segid "PROT" and resid 73  and name HG2  ))
     6 6 0 peak 27322 weight  0.1000E+01 volume 1.86800 ppm1 3.758 ppm2 2.247
ASSI { 27332}
  (( segid "PROT" and resid 75  and name HZ2  ))
  (( segid "PROT" and resid 73  and name HG1  ))
     6 6 0 peak 27332 weight  0.1000E+01 volume 2.39390 ppm1 7.476 ppm2 2.433
ASSI { 27342}
  (( segid "PROT" and resid 75  and name HZ2  ))
  (( segid "PROT" and resid 73  and name HG2  ))
     6 6 0 peak 27342 weight  0.1000E+01 volume 2.33480 ppm1 7.474 ppm2 2.247
ASSI { 27352}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 107  and name HB1  ))
     6 6 0 peak 27352 weight  0.1000E+01 volume 4.59560 ppm1 0.956 ppm2 2.209
ASSI { 27362}
  (( segid "PROT" and resid 108  and name HG1#  ))
  (( segid "PROT" and resid 107  and name HG1  ))
     6 6 0 peak 27362 weight  0.1000E+01 volume 2.25050 ppm1 0.953 ppm2 2.493
ASSI { 27372}
  (( segid "PROT" and resid 10  and name HD1  ))
  (( segid "PROT" and resid 13  and name HG1  ))
     6 6 0 peak 27372 weight  0.1000E+01 volume 3.71640 ppm1 1.767 ppm2 2.339
ASSI { 27382}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 13  and name HG1  ))
     6 6 0 peak 27382 weight  0.1000E+01 volume 0.67550 ppm1 0.659 ppm2 2.355
ASSI { 27392}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 13  and name HG1  ))
     6 6 0 peak 27392 weight  0.1000E+01 volume 1.60470 ppm1 0.267 ppm2 2.358
ASSI { 27402}
  (( segid "PROT" and resid 10  and name HE1  ))
  (( segid "PROT" and resid 13  and name HG1  ))
     6 6 0 peak 27402 weight  0.1000E+01 volume 2.15070 ppm1 3.006 ppm2 2.341
ASSI { 27412}
  (( segid "PROT" and resid 26  and name HB1  ))
  (( segid "PROT" and resid 23  and name HG1  ))
     6 6 0 peak 27412 weight  0.1000E+01 volume 2.91200 ppm1 2.892 ppm2 2.326
ASSI { 27422}
  (( segid "PROT" and resid 26  and name HB1  ))
  (( segid "PROT" and resid 23  and name HG2  ))
     6 6 0 peak 27422 weight  0.1000E+01 volume 4.19700 ppm1 2.892 ppm2 2.116
ASSI { 27432}
  (( segid "PROT" and resid 19  and name HG1  ))
  (( segid "PROT" and resid 23  and name HG2  ))
     6 6 0 peak 27432 weight  0.1000E+01 volume 2.06070 ppm1 2.681 ppm2 2.129
ASSI { 27462}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 87  and name HB1  ))
     6 6 0 peak 27462 weight  0.1000E+01 volume 3.22560 ppm1 0.612 ppm2 3.090
ASSI { 27472}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 87  and name HB2  ))
     6 6 0 peak 27472 weight  0.1000E+01 volume 2.48090 ppm1 0.613 ppm2 2.754
ASSI { 27482}
  (( segid "PROT" and resid 111  and name HA  ))
  (( segid "PROT" and resid 114  and name HB1  ))
     6 6 0 peak 27482 weight  0.1000E+01 volume 3.04610 ppm1 4.108 ppm2 2.850
ASSI { 27492}
  (( segid "PROT" and resid 111  and name HA  ))
  (( segid "PROT" and resid 114  and name HB2  ))
     6 6 0 peak 27492 weight  0.1000E+01 volume 3.40160 ppm1 4.109 ppm2 2.685
ASSI { 27502}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 114  and name HB2  ))
     6 6 0 peak 27502 weight  0.1000E+01 volume 3.03070 ppm1 0.724 ppm2 2.694
ASSI { 27512}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 62  and name HB  ))
     6 6 0 peak 27512 weight  0.1000E+01 volume 0.77660 ppm1 6.614 ppm2 1.695
ASSI { 27522}
  (( segid "PROT" and resid 35  and name HD1  ))
  (( segid "PROT" and resid 35  and name HB2  ))
     6 6 0 peak 27522 weight  0.1000E+01 volume 3.10750 ppm1 7.431 ppm2 2.636
ASSI { 27532}
  (( segid "PROT" and resid 35  and name HD1  ))
  (( segid "PROT" and resid 35  and name HB1  ))
     6 6 0 peak 27532 weight  0.1000E+01 volume 2.49740 ppm1 7.424 ppm2 3.856
ASSI { 27542}
  (( segid "PROT" and resid 49  and name HB2  ))
  (( segid "PROT" and resid 49  and name HB1  ))
     6 6 0 peak 27542 weight  0.1000E+01 volume 3.06430 ppm1 1.981 ppm2 2.781
ASSI { 27552}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 109  and name HB1  ))
     6 6 0 peak 27552 weight  0.1000E+01 volume 2.29240 ppm1 0.673 ppm2 3.353
ASSI { 27562}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 109  and name HB2  ))
     6 6 0 peak 27562 weight  0.1000E+01 volume 1.09440 ppm1 0.676 ppm2 3.072
ASSI { 27572}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 49  and name HA  ))
     6 6 0 peak 27572 weight  0.1000E+01 volume 1.33190 ppm1 0.450 ppm2 3.572
ASSI { 27582}
  (( segid "PROT" and resid 83  and name HG  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 27582 weight  0.1000E+01 volume 3.59830 ppm1 1.407 ppm2 2.724
ASSI { 27592}
  (( segid "PROT" and resid 83  and name HB1  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 27592 weight  0.1000E+01 volume 2.10130 ppm1 2.149 ppm2 2.736
ASSI { 27602}
  (( segid "PROT" and resid 83  and name HB2  ))
  (( segid "PROT" and resid 55  and name HB1  ))
     6 6 0 peak 27602 weight  0.1000E+01 volume 0.80070 ppm1 1.650 ppm2 2.748
ASSI { 27612}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "PROT" and resid 91  and name HB1  ))
     6 6 0 peak 27612 weight  0.1000E+01 volume 2.35450 ppm1 6.707 ppm2 2.950
ASSI { 27642}
  (( segid "PROT" and resid 40  and name HA  ))
  (( segid "PROT" and resid 43  and name HB1  ))
     6 6 0 peak 27642 weight  0.1000E+01 volume 3.14860 ppm1 5.083 ppm2 1.552
ASSI { 27652}
  (( segid "PROT" and resid 102  and name HA  ))
  (( segid "PROT" and resid 105  and name HB2  ))
     6 6 0 peak 27652 weight  0.1000E+01 volume 1.14410 ppm1 3.241 ppm2 1.111
ASSI { 27662}
  (( segid "PROT" and resid 44  and name HD2#  ))
  (( segid "PROT" and resid 43  and name HB1  ))
     6 6 0 peak 27662 weight  0.1000E+01 volume 4.61630 ppm1 0.750 ppm2 1.561
ASSI { 27672}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 120  and name HB1  ))
     6 6 0 peak 27672 weight  0.1000E+01 volume 3.90660 ppm1 7.399 ppm2 1.764
ASSI { 27682}
  (( segid "PROT" and resid 117  and name HA  ))
  (( segid "PROT" and resid 120  and name HB1  ))
     6 6 0 peak 27682 weight  0.1000E+01 volume 5.18740 ppm1 4.318 ppm2 1.766
ASSI { 27692}
  (( segid "PROT" and resid 22  and name HD2#  ))
  (( segid "PROT" and resid 66  and name HB1  ))
     6 6 0 peak 27692 weight  0.1000E+01 volume 2.92610 ppm1 1.093 ppm2 1.935
ASSI { 27702}
  (( segid "PROT" and resid 22  and name HD2#  ))
  (( segid "PROT" and resid 66  and name HB2  ))
     6 6 0 peak 27702 weight  0.1000E+01 volume 2.76080 ppm1 1.093 ppm2 1.759
ASSI { 27722}
  (( segid "PROT" and resid 66  and name HD1#  ))
  (( segid "PROT" and resid 15  and name HD1  ))
     6 6 0 peak 27722 weight  0.1000E+01 volume 2.78950 ppm1 0.738 ppm2 3.281
ASSI { 27732}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 15  and name HD1  ))
     6 6 0 peak 27732 weight  0.1000E+01 volume 2.27290 ppm1 0.835 ppm2 3.285
ASSI { 27742}
  (( segid "PROT" and resid 72  and name HG1  ))
  (( segid "PROT" and resid 69  and name HA2  ))
     6 6 0 peak 27742 weight  0.1000E+01 volume 1.85000 ppm1 2.443 ppm2 3.902
ASSI { 27752}
  (( segid "PROT" and resid 72  and name HG1  ))
  (( segid "PROT" and resid 69  and name HA1  ))
     6 6 0 peak 27752 weight  0.1000E+01 volume 1.80580 ppm1 2.439 ppm2 4.260
ASSI { 27772}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 27772 weight  0.1000E+01 volume 1.94690 ppm1 0.612 ppm2 5.245
ASSI { 27782}
  (( segid "PROT" and resid 56  and name HB1  ))
  (( segid "PROT" and resid 55  and name HA  ))
     6 6 0 peak 27782 weight  0.1000E+01 volume 2.12310 ppm1 2.446 ppm2 5.255
ASSI { 27792}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 56  and name HD1  ))
     6 6 0 peak 27792 weight  0.1000E+01 volume 3.47570 ppm1 0.613 ppm2 3.704
ASSI { 27802}
  (( segid "PROT" and resid 56  and name HB1  ))
  (( segid "PROT" and resid 56  and name HD2  ))
     6 6 0 peak 27802 weight  0.1000E+01 volume 3.48160 ppm1 2.442 ppm2 3.449
ASSI { 27812}
  (( segid "PROT" and resid 55  and name HB1  ))
  (( segid "PROT" and resid 56  and name HD1  ))
     6 6 0 peak 27812 weight  0.1000E+01 volume 6.28580 ppm1 2.741 ppm2 3.709
ASSI { 27822}
  (( segid "PROT" and resid 55  and name HB1  ))
  (( segid "PROT" and resid 56  and name HD2  ))
     6 6 0 peak 27822 weight  0.1000E+01 volume 2.96460 ppm1 2.741 ppm2 3.443
ASSI { 27832}
  (( segid "PROT" and resid 73  and name HG2  ))
  (( segid "PROT" and resid 73  and name HA  ))
     6 6 0 peak 27832 weight  0.1000E+01 volume 3.79530 ppm1 2.245 ppm2 4.626
ASSI { 27842}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 17  and name HA  ))
     6 6 0 peak 27842 weight  0.1000E+01 volume 1.26910 ppm1 0.615 ppm2 4.187
ASSI { 27852}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 106  and name HA  ))
     6 6 0 peak 27852 weight  0.1000E+01 volume 1.08200 ppm1 -1.494 ppm2 3.416
ASSI { 27882}
  (( segid "PROT" and resid 4  and name HB1  ))
  (( segid "PROT" and resid 4  and name HA  ))
     6 6 0 peak 27882 weight  0.1000E+01 volume 15.07660 ppm1 2.028 ppm2 4.401
ASSI { 27892}
  (( segid "PROT" and resid 4  and name HB2  ))
  (( segid "PROT" and resid 4  and name HA  ))
     6 6 0 peak 27892 weight  0.1000E+01 volume 11.29610 ppm1 1.952 ppm2 4.399
ASSI { 27902}
  (( segid "PROT" and resid 4  and name HG1  ))
  (( segid "PROT" and resid 4  and name HA  ))
     6 6 0 peak 27902 weight  0.1000E+01 volume 2.62020 ppm1 2.502 ppm2 4.401
ASSI { 27912}
  (( segid "PROT" and resid 4  and name HG2  ))
  (( segid "PROT" and resid 4  and name HA  ))
     6 6 0 peak 27912 weight  0.1000E+01 volume 6.13060 ppm1 2.443 ppm2 4.403
ASSI { 27922}
  (( segid "PROT" and resid 3  and name HB1  ))
  (( segid "PROT" and resid 3  and name HA  ))
     6 6 0 peak 27922 weight  0.1000E+01 volume 14.77490 ppm1 3.112 ppm2 4.603
ASSI { 27932}
  (( segid "PROT" and resid 3  and name HB2  ))
  (( segid "PROT" and resid 3  and name HA  ))
     6 6 0 peak 27932 weight  0.1000E+01 volume 11.09160 ppm1 3.027 ppm2 4.602
ASSI { 27982}
  (( segid "PROT" and resid 3  and name HA  ))
  (( segid "PROT" and resid 3  and name HB1  ))
     6 6 0 peak 27982 weight  0.1000E+01 volume 22.44580 ppm1 4.608 ppm2 3.113
ASSI { 27992}
  (( segid "PROT" and resid 3  and name HA  ))
  (( segid "PROT" and resid 3  and name HB2  ))
     6 6 0 peak 27992 weight  0.1000E+01 volume 30.35250 ppm1 4.606 ppm2 3.030
ASSI { 28002}
  (( segid "PROT" and resid 3  and name HD2  ))
  (( segid "PROT" and resid 3  and name HB2  ))
     6 6 0 peak 28002 weight  0.1000E+01 volume 6.79280 ppm1 7.018 ppm2 3.026
ASSI { 28012}
  (( segid "PROT" and resid 3  and name HD2  ))
  (( segid "PROT" and resid 3  and name HB1  ))
     6 6 0 peak 28012 weight  0.1000E+01 volume 3.27500 ppm1 7.019 ppm2 3.097
ASSI { 28022}
  (( segid "PROT" and resid 4  and name HA  ))
  (( segid "PROT" and resid 4  and name HB1  ))
     6 6 0 peak 28022 weight  0.1000E+01 volume 15.49310 ppm1 4.402 ppm2 2.021
ASSI { 28032}
  (( segid "PROT" and resid 4  and name HG2  ))
  (( segid "PROT" and resid 4  and name HB1  ))
     6 6 0 peak 28032 weight  0.1000E+01 volume 11.51890 ppm1 2.442 ppm2 2.035
ASSI { 28042}
  (( segid "PROT" and resid 4  and name HG1  ))
  (( segid "PROT" and resid 4  and name HB2  ))
     6 6 0 peak 28042 weight  0.1000E+01 volume 11.33850 ppm1 2.506 ppm2 1.958
ASSI { 28052}
  (( segid "PROT" and resid 4  and name HA  ))
  (( segid "PROT" and resid 4  and name HG2  ))
     6 6 0 peak 28052 weight  0.1000E+01 volume 5.94670 ppm1 4.406 ppm2 2.441
ASSI { 28062}
  (( segid "PROT" and resid 4  and name HB1  ))
  (( segid "PROT" and resid 4  and name HG2  ))
     6 6 0 peak 28062 weight  0.1000E+01 volume 26.82030 ppm1 2.036 ppm2 2.444
ASSI { 28072}
  (( segid "PROT" and resid 4  and name HB2  ))
  (( segid "PROT" and resid 4  and name HG1  ))
     6 6 0 peak 28072 weight  0.1000E+01 volume 5.90350 ppm1 1.953 ppm2 2.510
ASSI { 28102}
  (( segid "PROT" and resid 26  and name HB1  ))
  (( segid "PROT" and resid 27  and name HA  ))
     6 6 0 peak 28102 weight  0.1000E+01 volume 2.91270 ppm1 2.907 ppm2 4.008
ASSI { 28112}
  (( segid "PROT" and resid 27  and name HD2  ))
  (( segid "PROT" and resid 27  and name HA  ))
     6 6 0 peak 28112 weight  0.1000E+01 volume 2.05680 ppm1 3.121 ppm2 4.009
ASSI { 28122}
  (( segid "PROT" and resid 27  and name HD1  ))
  (( segid "PROT" and resid 27  and name HA  ))
     6 6 0 peak 28122 weight  0.1000E+01 volume 2.78060 ppm1 3.191 ppm2 4.008
ASSI { 28142}
  (( segid "PROT" and resid 104  and name HE1  ))
  (( segid "PROT" and resid 104  and name HA  ))
     6 6 0 peak 28142 weight  0.1000E+01 volume 3.48380 ppm1 2.829 ppm2 4.240
ASSI { 28152}
  (( segid "PROT" and resid 83  and name HG  ))
  (( segid "PROT" and resid 83  and name HA  ))
     6 6 0 peak 28152 weight  0.1000E+01 volume 3.27180 ppm1 1.409 ppm2 4.235
ASSI { 28172}
  (( segid "PROT" and resid 2  and name HB1  ))
  (( segid "PROT" and resid 2  and name HA  ))
     6 6 0 peak 28172 weight  0.1000E+01 volume 32.34560 ppm1 3.754 ppm2 4.396
ASSI { 28182}
  (( segid "PROT" and resid 2  and name HA  ))
  (( segid "PROT" and resid 2  and name HB1  ))
     6 6 0 peak 28182 weight  0.1000E+01 volume 24.99090 ppm1 4.399 ppm2 3.753
ASSI { 28192}
  (( segid "PROT" and resid 94  and name HE1  ))
  (( segid "PROT" and resid 94  and name HA  ))
     6 6 0 peak 28192 weight  0.1000E+01 volume 1.53120 ppm1 2.883 ppm2 2.171
ASSI { 28202}
  (( segid "PROT" and resid 99  and name HB2  ))
  (( segid "PROT" and resid 94  and name HA  ))
     6 6 0 peak 28202 weight  0.1000E+01 volume 3.14320 ppm1 2.599 ppm2 2.180
ASSI { 28212}
  (( segid "PROT" and resid 94  and name HD1  ))
  (( segid "PROT" and resid 94  and name HA  ))
     6 6 0 peak 28212 weight  0.1000E+01 volume 6.53990 ppm1 1.505 ppm2 2.178
ASSI { 28222}
  (( segid "PROT" and resid 28  and name HB1  ))
  (( segid "PROT" and resid 31  and name HA  ))
     6 6 0 peak 28222 weight  0.1000E+01 volume 1.59140 ppm1 2.098 ppm2 2.589
ASSI { 28272}
  (( segid "PROT" and resid 82  and name HZ2  ))
  (( segid "PROT" and resid 110  and name HA  ))
     6 6 0 peak 28272 weight  0.1000E+01 volume 2.17530 ppm1 7.718 ppm2 4.005
ASSI { 28282}
  (( segid "PROT" and resid 80  and name HB2  ))
  (( segid "PROT" and resid 77  and name HA  ))
     6 6 0 peak 28282 weight  0.1000E+01 volume 1.30950 ppm1 2.497 ppm2 3.387
ASSI { 28292}
  (( segid "PROT" and resid 7  and name HG2  ))
  (( segid "PROT" and resid 8  and name HA  ))
     6 6 0 peak 28292 weight  0.1000E+01 volume 1.66690 ppm1 0.959 ppm2 4.284
ASSI { 28302}
  (( segid "PROT" and resid 103  and name HB2  ))
  (( segid "PROT" and resid 100  and name HA  ))
     6 6 0 peak 28302 weight  0.1000E+01 volume 8.95940 ppm1 4.114 ppm2 4.317
ASSI { 28312}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 28312 weight  0.1000E+01 volume 1.09700 ppm1 6.612 ppm2 3.693
ASSI { 28322}
  (( segid "PROT" and resid 63  and name HE1  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 28322 weight  0.1000E+01 volume 1.96690 ppm1 2.798 ppm2 3.694
ASSI { 28332}
  (( segid "PROT" and resid 60  and name HA  ))
  (( segid "PROT" and resid 63  and name HA  ))
     6 6 0 peak 28332 weight  0.1000E+01 volume 2.92800 ppm1 4.229 ppm2 3.683
ASSI { 28342}
  (( segid "PROT" and resid 36  and name HB2  ))
  (( segid "PROT" and resid 33  and name HA  ))
     6 6 0 peak 28342 weight  0.1000E+01 volume 2.63240 ppm1 1.908 ppm2 3.903
ASSI { 28352}
  (( segid "PROT" and resid 85  and name HB2  ))
  (( segid "PROT" and resid 82  and name HA  ))
     6 6 0 peak 28352 weight  0.1000E+01 volume 2.43550 ppm1 1.460 ppm2 3.980
ASSI { 28362}
  (( segid "PROT" and resid 70  and name HA  ))
  (( segid "PROT" and resid 65  and name HA  ))
     6 6 0 peak 28362 weight  0.1000E+01 volume 1.94540 ppm1 3.983 ppm2 3.417
ASSI { 28372}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 91  and name HA  ))
     6 6 0 peak 28372 weight  0.1000E+01 volume 5.27940 ppm1 0.447 ppm2 4.008
ASSI { 28392}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 109  and name HA  ))
     6 6 0 peak 28392 weight  0.1000E+01 volume 2.08830 ppm1 6.070 ppm2 4.036
ASSI { 28402}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 109  and name HA  ))
     6 6 0 peak 28402 weight  0.1000E+01 volume 2.95370 ppm1 7.188 ppm2 4.034
ASSI { 28412}
  (( segid "PROT" and resid 26  and name HD1  ))
  (( segid "PROT" and resid 26  and name HA  ))
     6 6 0 peak 28412 weight  0.1000E+01 volume 6.33780 ppm1 6.935 ppm2 3.715
ASSI { 28422}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 26  and name HA  ))
     6 6 0 peak 28422 weight  0.1000E+01 volume 1.79560 ppm1 0.573 ppm2 3.707
ASSI { 28432}
  (( segid "PROT" and resid 27  and name HA  ))
  (( segid "PROT" and resid 26  and name HA  ))
     6 6 0 peak 28432 weight  0.1000E+01 volume 2.03500 ppm1 4.019 ppm2 3.711
ASSI { 28452}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 119  and name HB2  ))
     6 6 0 peak 28452 weight  0.1000E+01 volume 2.80970 ppm1 0.618 ppm2 4.012
ASSI { 28462}
  (( segid "PROT" and resid 120  and name HB1  ))
  (( segid "PROT" and resid 119  and name HB2  ))
     6 6 0 peak 28462 weight  0.1000E+01 volume 2.18500 ppm1 1.780 ppm2 4.017
ASSI { 28472}
  (( segid "PROT" and resid 112  and name HB1  ))
  (( segid "PROT" and resid 21  and name HA  ))
     6 6 0 peak 28472 weight  0.1000E+01 volume 12.50180 ppm1 2.013 ppm2 4.147
ASSI { 28482}
  (( segid "PROT" and resid 112  and name HB2  ))
  (( segid "PROT" and resid 21  and name HA  ))
     6 6 0 peak 28482 weight  0.1000E+01 volume 6.21620 ppm1 1.758 ppm2 4.139
ASSI { 28492}
  (( segid "PROT" and resid 116  and name HG1#  ))
  (( segid "PROT" and resid 21  and name HA  ))
     6 6 0 peak 28492 weight  0.1000E+01 volume 1.42880 ppm1 1.036 ppm2 4.148
ASSI { 28502}
  (( segid "PROT" and resid 44  and name HD2#  ))
  (( segid "PROT" and resid 39  and name HA  ))
     6 6 0 peak 28502 weight  0.1000E+01 volume 3.82580 ppm1 0.829 ppm2 3.202
ASSI { 28522}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 28522 weight  0.1000E+01 volume 1.48450 ppm1 0.610 ppm2 3.767
ASSI { 28532}
  (( segid "PROT" and resid 71  and name HB2  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 28532 weight  0.1000E+01 volume 2.67390 ppm1 2.655 ppm2 3.772
ASSI { 28542}
  (( segid "PROT" and resid 71  and name HB1  ))
  (( segid "PROT" and resid 74  and name HA  ))
     6 6 0 peak 28542 weight  0.1000E+01 volume 1.16230 ppm1 2.760 ppm2 3.774
ASSI { 28552}
  (( segid "PROT" and resid 118  and name HG1  ))
  (( segid "PROT" and resid 115  and name HA  ))
     6 6 0 peak 28552 weight  0.1000E+01 volume 4.72330 ppm1 2.506 ppm2 4.269
ASSI { 28562}
  (( segid "PROT" and resid 118  and name HG2  ))
  (( segid "PROT" and resid 115  and name HA  ))
     6 6 0 peak 28562 weight  0.1000E+01 volume 3.15010 ppm1 2.409 ppm2 4.263
ASSI { 28572}
  (( segid "PROT" and resid 84  and name HB2  ))
  (( segid "PROT" and resid 81  and name HA  ))
     6 6 0 peak 28572 weight  0.1000E+01 volume 3.99160 ppm1 1.239 ppm2 2.479
ASSI { 28582}
  (( segid "PROT" and resid 64  and name HG1  ))
  (( segid "PROT" and resid 61  and name HA  ))
     6 6 0 peak 28582 weight  0.1000E+01 volume 1.15830 ppm1 1.675 ppm2 3.882
ASSI { 28592}
  (( segid "PROT" and resid 75  and name HA  ))
  (( segid "PROT" and resid 78  and name HA  ))
     6 6 0 peak 28592 weight  0.1000E+01 volume 2.45550 ppm1 4.205 ppm2 3.063
ASSI { 28602}
  (( segid "PROT" and resid 94  and name HE1  ))
  (( segid "PROT" and resid 95  and name HB  ))
     6 6 0 peak 28602 weight  0.1000E+01 volume 1.09790 ppm1 2.924 ppm2 4.439
! F3 (1H): 0.05 ppm
! F2 (X): 0.5 ppm
! F1 (1H): 0.05 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 1.386  and attr rmsd >  1.286  ) 
  and bondedto( attr rmsd <  19.869  and attr rmsd > 18.869  )) 
     ( attr rmsd < 2.454  and attr rmsd > 2.354  ) 
  6 6 0  peak  52  volume  6.36260 ppm1  1.336  ppm2  2.404
assi (( attr rmsd < 1.46  and attr rmsd >  1.36  ) 
  and bondedto( attr rmsd <  18.231  and attr rmsd > 17.231  )) 
     ( attr rmsd < 2.433  and attr rmsd > 2.333  ) 
  6 6 0  peak  232  volume  16.22780 ppm1  1.410  ppm2  2.383
assi (( attr rmsd < -0.32  and attr rmsd >  -0.42  ) 
  and bondedto( attr rmsd <  20.78  and attr rmsd > 19.78  )) 
     ( attr rmsd < 7.442  and attr rmsd > 7.342  ) 
  6 6 0  peak  992  volume  14.37770 ppm1  -0.370  ppm2  7.392
assi (( attr rmsd < 0.671  and attr rmsd >  0.571  ) 
  and bondedto( attr rmsd <  26.101  and attr rmsd > 25.101  )) 
     ( attr rmsd < 4.358  and attr rmsd > 4.258  ) 
  6 6 0  peak  4312  volume  93.39240 ppm1  0.621  ppm2  4.308
assi (( attr rmsd < 4.401  and attr rmsd >  4.301  ) 
  and bondedto( attr rmsd <  58.218  and attr rmsd > 57.218  )) 
     ( attr rmsd < 6.865  and attr rmsd > 6.765  ) 
  6 6 0  peak  4462  volume  8.74790 ppm1  4.351  ppm2  6.815
assi (( attr rmsd < 4.209  and attr rmsd >  4.109  ) 
  and bondedto( attr rmsd <  59.86  and attr rmsd > 58.86  )) 
     ( attr rmsd < 1.913  and attr rmsd > 1.813  ) 
  6 6 0  peak  4732  volume  87.18210 ppm1  4.159  ppm2  1.863
assi (( attr rmsd < 1.523  and attr rmsd >  1.423  ) 
  and bondedto( attr rmsd <  16.514  and attr rmsd > 15.514  )) 
     ( attr rmsd < 1.313  and attr rmsd > 1.213  ) 
  6 6 0  peak  6372  volume  15.25980 ppm1  1.473  ppm2  1.263
assi (( attr rmsd < 3.826  and attr rmsd >  3.726  ) 
  and bondedto( attr rmsd <  51.586  and attr rmsd > 50.586  )) 
     ( attr rmsd < 7.442  and attr rmsd > 7.342  ) 
  6 6 0  peak  7372  volume  46.65760 ppm1  3.776  ppm2  7.392
assi (( attr rmsd < 0.904  and attr rmsd >  0.804  ) 
  and bondedto( attr rmsd <  17.924  and attr rmsd > 16.924  )) 
     ( attr rmsd < 4.694  and attr rmsd > 4.594  ) 
  6 6 0  peak  9272  volume  4.27870 ppm1  0.854  ppm2  4.644
assi (( attr rmsd < 0.934  and attr rmsd >  0.834  ) 
  and bondedto( attr rmsd <  12.243  and attr rmsd > 11.243  )) 
     ( attr rmsd < 0.79  and attr rmsd > 0.69  ) 
  6 6 0  peak  9562  volume  9.58490 ppm1  0.884  ppm2  0.740
assi (( attr rmsd < 0.398  and attr rmsd >  0.298  ) 
  and bondedto( attr rmsd <  14.61  and attr rmsd > 13.61  )) 
     ( attr rmsd < 3.058  and attr rmsd > 2.958  ) 
  6 6 0  peak  9592  volume  5.34360 ppm1  0.348  ppm2  3.008
assi (( attr rmsd < -0.325  and attr rmsd >  -0.425  ) 
  and bondedto( attr rmsd <  20.78  and attr rmsd > 19.78  )) 
     ( attr rmsd < 0.128  and attr rmsd > 0.028  ) 
  6 6 0  peak  9972  volume  1.55000 ppm1  -0.375  ppm2  0.078
assi (( attr rmsd < 0.791  and attr rmsd >  0.691  ) 
  and bondedto( attr rmsd <  23.72  and attr rmsd > 22.72  )) 
     ( attr rmsd < 2.189  and attr rmsd > 2.089  ) 
  6 6 0  peak  10002  volume  2.26480 ppm1  0.741  ppm2  2.139
assi (( attr rmsd < 0.396  and attr rmsd >  0.296  ) 
  and bondedto( attr rmsd <  25.736  and attr rmsd > 24.736  )) 
     ( attr rmsd < 1.607  and attr rmsd > 1.507  ) 
  6 6 0  peak  11082  volume  8.61790 ppm1  0.346  ppm2  1.557
assi (( attr rmsd < 0.949  and attr rmsd >  0.849  ) 
  and bondedto( attr rmsd <  23.843  and attr rmsd > 22.843  )) 
     ( attr rmsd < 2.087  and attr rmsd > 1.987  ) 
  6 6 0  peak  11682  volume  8.18210 ppm1  0.899  ppm2  2.037
assi (( attr rmsd < 1.146  and attr rmsd >  1.046  ) 
  and bondedto( attr rmsd <  41.598  and attr rmsd > 40.598  )) 
     ( attr rmsd < 2.424  and attr rmsd > 2.324  ) 
  6 6 0  peak  11862  volume  1.81800 ppm1  1.096  ppm2  2.374
assi (( attr rmsd < 0.881  and attr rmsd >  0.781  ) 
  and bondedto( attr rmsd <  25.736  and attr rmsd > 24.736  )) 
     ( attr rmsd < 1.142  and attr rmsd > 1.042  ) 
  6 6 0  peak  13062  volume  58.13880 ppm1  0.831  ppm2  1.092
assi (( attr rmsd < 0.614  and attr rmsd >  0.514  ) 
  and bondedto( attr rmsd <  24.079  and attr rmsd > 23.079  )) 
     ( attr rmsd < 7.418  and attr rmsd > 7.318  ) 
  6 6 0  peak  14102  volume  7.97080 ppm1  0.564  ppm2  7.368
assi (( attr rmsd < 1.853  and attr rmsd >  1.753  ) 
  and bondedto( attr rmsd <  26.683  and attr rmsd > 25.683  )) 
     ( attr rmsd < 1.402  and attr rmsd > 1.302  ) 
  6 6 0  peak  14152  volume  3.79930 ppm1  1.803  ppm2  1.352
assi (( attr rmsd < 2.804  and attr rmsd >  2.704  ) 
  and bondedto( attr rmsd <  50.594  and attr rmsd > 49.594  )) 
     ( attr rmsd < 2.235  and attr rmsd > 2.135  ) 
  6 6 0  peak  16192  volume  2.19760 ppm1  2.754  ppm2  2.185
assi (( attr rmsd < 4.287  and attr rmsd >  4.187  ) 
  and bondedto( attr rmsd <  62.75  and attr rmsd > 61.75  )) 
     ( attr rmsd < 2.032  and attr rmsd > 1.932  ) 
  6 6 0  peak  17622  volume  6.35340 ppm1  4.237  ppm2  1.982
assi (( attr rmsd < 3.976  and attr rmsd >  3.876  ) 
  and bondedto( attr rmsd <  58.879  and attr rmsd > 57.879  )) 
     ( attr rmsd < 3.675  and attr rmsd > 3.575  ) 
  6 6 0  peak  17952  volume  2.09240 ppm1  3.926  ppm2  3.625
assi (( attr rmsd < 1.529  and attr rmsd >  1.429  ) 
  and bondedto( attr rmsd <  24.789  and attr rmsd > 23.789  )) 
     ( attr rmsd < 2.346  and attr rmsd > 2.246  ) 
  6 6 0  peak  20902  volume  4.01120 ppm1  1.479  ppm2  2.296
assi (( attr rmsd < 1.281  and attr rmsd >  1.181  ) 
  and bondedto( attr rmsd <  24.789  and attr rmsd > 23.789  )) 
     ( attr rmsd < 2.353  and attr rmsd > 2.253  ) 
  6 6 0  peak  20912  volume  2.76110 ppm1  1.231  ppm2  2.303
assi (( attr rmsd < 1.218  and attr rmsd >  1.118  ) 
  and bondedto( attr rmsd <  19.581  and attr rmsd > 18.581  )) 
     ( attr rmsd < 0.786  and attr rmsd > 0.686  ) 
  6 6 0  peak  22682  volume  3.86980 ppm1  1.168  ppm2  0.736
assi (( attr rmsd < 0.878  and attr rmsd >  0.778  ) 
  and bondedto( attr rmsd <  12.953  and attr rmsd > 11.953  )) 
     ( attr rmsd < 0.572  and attr rmsd > 0.472  ) 
  6 6 0  peak  22722  volume  0.50950 ppm1  0.828  ppm2  0.522
assi (( attr rmsd < 4.819  and attr rmsd >  4.719  ) 
  and bondedto( attr rmsd <  56.749  and attr rmsd > 55.749  )) 
     ( attr rmsd < 6.852  and attr rmsd > 6.752  ) 
  6 6 0  peak  22922  volume  0.91920 ppm1  4.769  ppm2  6.802
assi (( attr rmsd < 2.804  and attr rmsd >  2.704  ) 
  and bondedto( attr rmsd <  50.594  and attr rmsd > 49.594  )) 
     ( attr rmsd < 7.433  and attr rmsd > 7.333  ) 
  6 6 0  peak  22942  volume  1.09720 ppm1  2.754  ppm2  7.383
assi (( attr rmsd < 3.799  and attr rmsd >  3.699  ) 
  and bondedto( attr rmsd <  50.594  and attr rmsd > 49.594  )) 
     ( attr rmsd < 7.439  and attr rmsd > 7.339  ) 
  6 6 0  peak  22952  volume  7.86350 ppm1  3.749  ppm2  7.389
assi (( attr rmsd < 2.972  and attr rmsd >  2.872  ) 
  and bondedto( attr rmsd <  42.58  and attr rmsd > 41.58  )) 
     ( attr rmsd < 4.5  and attr rmsd > 4.4  ) 
  6 6 0  peak  23072  volume  13.12350 ppm1  2.922  ppm2  4.450
assi (( attr rmsd < 2.039  and attr rmsd >  1.939  ) 
  and bondedto( attr rmsd <  14.61  and attr rmsd > 13.61  )) 
     ( attr rmsd < 1.592  and attr rmsd > 1.492  ) 
  6 6 0  peak  23662  volume  4.32690 ppm1  1.989  ppm2  1.542
assi (( attr rmsd < 2.045  and attr rmsd >  1.945  ) 
  and bondedto( attr rmsd <  14.61  and attr rmsd > 13.61  )) 
     ( attr rmsd < 1.447  and attr rmsd > 1.347  ) 
  6 6 0  peak  23672  volume  6.95750 ppm1  1.995  ppm2  1.397
assi (( attr rmsd < 1.799  and attr rmsd >  1.699  ) 
  and bondedto( attr rmsd <  18.393  and attr rmsd > 17.393  )) 
     ( attr rmsd < 0.858  and attr rmsd > 0.758  ) 
  6 6 0  peak  23762  volume  10.65260 ppm1  1.749  ppm2  0.808
assi (( attr rmsd < 0.793  and attr rmsd >  0.693  ) 
  and bondedto( attr rmsd <  19.22  and attr rmsd > 18.22  )) 
     ( attr rmsd < 0.109  and attr rmsd > 0.009  ) 
  6 6 0  peak  23772  volume  2.11910 ppm1  0.743  ppm2  0.059
assi (( attr rmsd < 0.794  and attr rmsd >  0.694  ) 
  and bondedto( attr rmsd <  23.666  and attr rmsd > 22.666  )) 
     ( attr rmsd < 2.566  and attr rmsd > 2.466  ) 
  6 6 0  peak  23812  volume  22.33420 ppm1  0.744  ppm2  2.516
assi (( attr rmsd < 0.874  and attr rmsd >  0.774  ) 
  and bondedto( attr rmsd <  22.468  and attr rmsd > 21.468  )) 
     ( attr rmsd < 7.757  and attr rmsd > 7.657  ) 
  6 6 0  peak  23922  volume  16.23220 ppm1  0.824  ppm2  7.707
assi (( attr rmsd < 0.874  and attr rmsd >  0.774  ) 
  and bondedto( attr rmsd <  22.468  and attr rmsd > 21.468  )) 
     ( attr rmsd < 7.262  and attr rmsd > 7.162  ) 
  6 6 0  peak  23932  volume  5.43100 ppm1  0.824  ppm2  7.212
assi (( attr rmsd < 0.881  and attr rmsd >  0.781  ) 
  and bondedto( attr rmsd <  25.823  and attr rmsd > 24.823  )) 
     ( attr rmsd < 1.226  and attr rmsd > 1.126  ) 
  6 6 0  peak  24132  volume  17.31900 ppm1  0.831  ppm2  1.176
assi (( attr rmsd < 0.402  and attr rmsd >  0.302  ) 
  and bondedto( attr rmsd <  25.823  and attr rmsd > 24.823  )) 
     ( attr rmsd < 0.789  and attr rmsd > 0.689  ) 
  6 6 0  peak  24182  volume  3.89740 ppm1  0.352  ppm2  0.739
assi (( attr rmsd < 0.401  and attr rmsd >  0.301  ) 
  and bondedto( attr rmsd <  25.823  and attr rmsd > 24.823  )) 
     ( attr rmsd < 0.884  and attr rmsd > 0.784  ) 
  6 6 0  peak  24192  volume  4.73510 ppm1  0.351  ppm2  0.834
assi (( attr rmsd < 0.793  and attr rmsd >  0.693  ) 
  and bondedto( attr rmsd <  26.782  and attr rmsd > 25.782  )) 
     ( attr rmsd < 7.754  and attr rmsd > 7.654  ) 
  6 6 0  peak  24302  volume  12.35960 ppm1  0.743  ppm2  7.704
assi (( attr rmsd < 1.46  and attr rmsd >  1.36  ) 
  and bondedto( attr rmsd <  27.964  and attr rmsd > 26.964  )) 
     ( attr rmsd < 7.446  and attr rmsd > 7.346  ) 
  6 6 0  peak  24372  volume  2.55520 ppm1  1.410  ppm2  7.396
assi (( attr rmsd < 1.847  and attr rmsd >  1.747  ) 
  and bondedto( attr rmsd <  27.964  and attr rmsd > 26.964  )) 
     ( attr rmsd < 7.449  and attr rmsd > 7.349  ) 
  6 6 0  peak  24382  volume  5.21990 ppm1  1.797  ppm2  7.399
assi (( attr rmsd < 1.706  and attr rmsd >  1.606  ) 
  and bondedto( attr rmsd <  29.658  and attr rmsd > 28.658  )) 
     ( attr rmsd < 7.38  and attr rmsd > 7.28  ) 
  6 6 0  peak  24472  volume  3.28780 ppm1  1.656  ppm2  7.330
assi (( attr rmsd < 1.708  and attr rmsd >  1.608  ) 
  and bondedto( attr rmsd <  29.658  and attr rmsd > 28.658  )) 
     ( attr rmsd < 7.439  and attr rmsd > 7.339  ) 
  6 6 0  peak  24482  volume  2.44180 ppm1  1.658  ppm2  7.389
assi (( attr rmsd < 1.906  and attr rmsd >  1.806  ) 
  and bondedto( attr rmsd <  30.617  and attr rmsd > 29.617  )) 
     ( attr rmsd < 1.611  and attr rmsd > 1.511  ) 
  6 6 0  peak  24592  volume  30.33470 ppm1  1.856  ppm2  1.561
assi (( attr rmsd < 1.918  and attr rmsd >  1.818  ) 
  and bondedto( attr rmsd <  30.617  and attr rmsd > 29.617  )) 
     ( attr rmsd < 1.502  and attr rmsd > 1.402  ) 
  6 6 0  peak  24602  volume  28.19950 ppm1  1.868  ppm2  1.452
assi (( attr rmsd < 1.912  and attr rmsd >  1.812  ) 
  and bondedto( attr rmsd <  30.617  and attr rmsd > 29.617  )) 
     ( attr rmsd < 1.749  and attr rmsd > 1.649  ) 
  6 6 0  peak  24612  volume  50.17210 ppm1  1.862  ppm2  1.699
assi (( attr rmsd < 2.063  and attr rmsd >  1.963  ) 
  and bondedto( attr rmsd <  33.254  and attr rmsd > 32.254  )) 
     ( attr rmsd < 3.746  and attr rmsd > 3.646  ) 
  6 6 0  peak  24732  volume  7.58290 ppm1  2.013  ppm2  3.696
assi (( attr rmsd < 2.55  and attr rmsd >  2.45  ) 
  and bondedto( attr rmsd <  34.023  and attr rmsd > 33.023  )) 
     ( attr rmsd < 2.117  and attr rmsd > 2.017  ) 
  6 6 0  peak  24762  volume  55.96790 ppm1  2.500  ppm2  2.067
assi (( attr rmsd < 2.456  and attr rmsd >  2.356  ) 
  and bondedto( attr rmsd <  34.023  and attr rmsd > 33.023  )) 
     ( attr rmsd < 2.118  and attr rmsd > 2.018  ) 
  6 6 0  peak  24772  volume  60.09110 ppm1  2.406  ppm2  2.068
assi (( attr rmsd < 2.712  and attr rmsd >  2.612  ) 
  and bondedto( attr rmsd <  33.074  and attr rmsd > 32.074  )) 
     ( attr rmsd < 2.356  and attr rmsd > 2.256  ) 
  6 6 0  peak  24852  volume  6.30710 ppm1  2.662  ppm2  2.306
assi (( attr rmsd < 2.599  and attr rmsd >  2.499  ) 
  and bondedto( attr rmsd <  33.074  and attr rmsd > 32.074  )) 
     ( attr rmsd < 2.362  and attr rmsd > 2.262  ) 
  6 6 0  peak  24862  volume  11.17580 ppm1  2.549  ppm2  2.312
assi (( attr rmsd < 4.152  and attr rmsd >  4.052  ) 
  and bondedto( attr rmsd <  58.101  and attr rmsd > 57.101  )) 
     ( attr rmsd < 2.862  and attr rmsd > 2.762  ) 
  6 6 0  peak  25202  volume  4.44950 ppm1  4.102  ppm2  2.812
assi (( attr rmsd < 0.873  and attr rmsd >  0.773  ) 
  and bondedto( attr rmsd <  13.047  and attr rmsd > 12.047  )) 
     ( attr rmsd < 2.499  and attr rmsd > 2.399  ) 
  6 6 0  peak  25552  volume  1.93190 ppm1  0.823  ppm2  2.449
assi (( attr rmsd < 2.045  and attr rmsd >  1.945  ) 
  and bondedto( attr rmsd <  14.703  and attr rmsd > 13.703  )) 
     ( attr rmsd < 2.8  and attr rmsd > 2.7  ) 
  6 6 0  peak  25562  volume  4.27700 ppm1  1.995  ppm2  2.750
assi (( attr rmsd < 1.516  and attr rmsd >  1.416  ) 
  and bondedto( attr rmsd <  16.597  and attr rmsd > 15.597  )) 
     ( attr rmsd < 0.823  and attr rmsd > 0.723  ) 
  6 6 0  peak  25592  volume  2.10950 ppm1  1.466  ppm2  0.773
assi (( attr rmsd < 1.516  and attr rmsd >  1.416  ) 
  and bondedto( attr rmsd <  16.597  and attr rmsd > 15.597  )) 
     ( attr rmsd < 0.769  and attr rmsd > 0.669  ) 
  6 6 0  peak  25602  volume  2.44900 ppm1  1.466  ppm2  0.719
assi (( attr rmsd < 1.461  and attr rmsd >  1.361  ) 
  and bondedto( attr rmsd <  18.254  and attr rmsd > 17.254  )) 
     ( attr rmsd < 0.726  and attr rmsd > 0.626  ) 
  6 6 0  peak  25702  volume  3.90480 ppm1  1.411  ppm2  0.676
assi (( attr rmsd < 1.222  and attr rmsd >  1.122  ) 
  and bondedto( attr rmsd <  19.674  and attr rmsd > 18.674  )) 
     ( attr rmsd < 0.556  and attr rmsd > 0.456  ) 
  6 6 0  peak  25772  volume  3.28060 ppm1  1.172  ppm2  0.506
assi (( attr rmsd < 1.226  and attr rmsd >  1.126  ) 
  and bondedto( attr rmsd <  19.674  and attr rmsd > 18.674  )) 
     ( attr rmsd < 0.721  and attr rmsd > 0.621  ) 
  6 6 0  peak  25782  volume  2.11190 ppm1  1.176  ppm2  0.671
assi (( attr rmsd < 1.544  and attr rmsd >  1.444  ) 
  and bondedto( attr rmsd <  19.911  and attr rmsd > 18.911  )) 
     ( attr rmsd < 4.378  and attr rmsd > 4.278  ) 
  6 6 0  peak  25812  volume  4.05120 ppm1  1.494  ppm2  4.328
assi (( attr rmsd < 1.386  and attr rmsd >  1.286  ) 
  and bondedto( attr rmsd <  19.911  and attr rmsd > 18.911  )) 
     ( attr rmsd < 2.175  and attr rmsd > 2.075  ) 
  6 6 0  peak  25832  volume  1.68050 ppm1  1.336  ppm2  2.125
assi (( attr rmsd < 0.769  and attr rmsd >  0.669  ) 
  and bondedto( attr rmsd <  20.621  and attr rmsd > 19.621  )) 
     ( attr rmsd < 4.491  and attr rmsd > 4.391  ) 
  6 6 0  peak  25842  volume  5.78940 ppm1  0.719  ppm2  4.441
assi (( attr rmsd < 0.769  and attr rmsd >  0.669  ) 
  and bondedto( attr rmsd <  20.621  and attr rmsd > 19.621  )) 
     ( attr rmsd < 4.234  and attr rmsd > 4.134  ) 
  6 6 0  peak  25852  volume  2.48040 ppm1  0.719  ppm2  4.184
assi (( attr rmsd < -0.317  and attr rmsd >  -0.417  ) 
  and bondedto( attr rmsd <  20.858  and attr rmsd > 19.858  )) 
     ( attr rmsd < 0.874  and attr rmsd > 0.774  ) 
  6 6 0  peak  25952  volume  4.90670 ppm1  -0.367  ppm2  0.824
assi (( attr rmsd < 0.494  and attr rmsd >  0.394  ) 
  and bondedto( attr rmsd <  22.041  and attr rmsd > 21.041  )) 
     ( attr rmsd < 7.468  and attr rmsd > 7.368  ) 
  6 6 0  peak  26062  volume  2.55430 ppm1  0.444  ppm2  7.418
assi (( attr rmsd < 0.494  and attr rmsd >  0.394  ) 
  and bondedto( attr rmsd <  22.041  and attr rmsd > 21.041  )) 
     ( attr rmsd < 2.189  and attr rmsd > 2.089  ) 
  6 6 0  peak  26072  volume  4.54610 ppm1  0.444  ppm2  2.139
assi (( attr rmsd < 0.872  and attr rmsd >  0.772  ) 
  and bondedto( attr rmsd <  22.988  and attr rmsd > 21.988  )) 
     ( attr rmsd < 3.011  and attr rmsd > 2.911  ) 
  6 6 0  peak  26132  volume  2.95700 ppm1  0.822  ppm2  2.961
assi (( attr rmsd < 0.877  and attr rmsd >  0.777  ) 
  and bondedto( attr rmsd <  22.988  and attr rmsd > 21.988  )) 
     ( attr rmsd < 2.834  and attr rmsd > 2.734  ) 
  6 6 0  peak  26142  volume  1.68600 ppm1  0.827  ppm2  2.784
assi (( attr rmsd < 1.169  and attr rmsd >  1.069  ) 
  and bondedto( attr rmsd <  22.515  and attr rmsd > 21.515  )) 
     ( attr rmsd < 7.306  and attr rmsd > 7.206  ) 
  6 6 0  peak  26152  volume  3.35600 ppm1  1.119  ppm2  7.256
assi (( attr rmsd < 1.165  and attr rmsd >  1.065  ) 
  and bondedto( attr rmsd <  22.515  and attr rmsd > 21.515  )) 
     ( attr rmsd < 7.533  and attr rmsd > 7.433  ) 
  6 6 0  peak  26162  volume  2.01470 ppm1  1.115  ppm2  7.483
assi (( attr rmsd < 0.875  and attr rmsd >  0.775  ) 
  and bondedto( attr rmsd <  22.988  and attr rmsd > 21.988  )) 
     ( attr rmsd < 6.66  and attr rmsd > 6.56  ) 
  6 6 0  peak  26202  volume  1.25120 ppm1  0.825  ppm2  6.610
assi (( attr rmsd < 0.789  and attr rmsd >  0.689  ) 
  and bondedto( attr rmsd <  23.698  and attr rmsd > 22.698  )) 
     ( attr rmsd < 3.007  and attr rmsd > 2.907  ) 
  6 6 0  peak  26262  volume  4.05440 ppm1  0.739  ppm2  2.957
assi (( attr rmsd < 0.788  and attr rmsd >  0.688  ) 
  and bondedto( attr rmsd <  23.698  and attr rmsd > 22.698  )) 
     ( attr rmsd < 2.838  and attr rmsd > 2.738  ) 
  6 6 0  peak  26272  volume  3.57320 ppm1  0.738  ppm2  2.788
assi (( attr rmsd < 0.787  and attr rmsd >  0.687  ) 
  and bondedto( attr rmsd <  23.698  and attr rmsd > 22.698  )) 
     ( attr rmsd < 2.087  and attr rmsd > 1.987  ) 
  6 6 0  peak  26282  volume  2.97490 ppm1  0.737  ppm2  2.037
assi (( attr rmsd < 0.616  and attr rmsd >  0.516  ) 
  and bondedto( attr rmsd <  23.935  and attr rmsd > 22.935  )) 
     ( attr rmsd < 7.142  and attr rmsd > 7.042  ) 
  6 6 0  peak  26322  volume  2.01550 ppm1  0.566  ppm2  7.092
assi (( attr rmsd < 0.618  and attr rmsd >  0.518  ) 
  and bondedto( attr rmsd <  23.935  and attr rmsd > 22.935  )) 
     ( attr rmsd < 7.084  and attr rmsd > 6.984  ) 
  6 6 0  peak  26332  volume  2.68520 ppm1  0.568  ppm2  7.034
assi (( attr rmsd < 0.617  and attr rmsd >  0.517  ) 
  and bondedto( attr rmsd <  24.171  and attr rmsd > 23.171  )) 
     ( attr rmsd < 2.646  and attr rmsd > 2.546  ) 
  6 6 0  peak  26352  volume  4.53950 ppm1  0.567  ppm2  2.596
assi (( attr rmsd < 0.631  and attr rmsd >  0.531  ) 
  and bondedto( attr rmsd <  24.645  and attr rmsd > 23.645  )) 
     ( attr rmsd < 3.752  and attr rmsd > 3.652  ) 
  6 6 0  peak  26372  volume  5.06170 ppm1  0.581  ppm2  3.702
assi (( attr rmsd < 1.147  and attr rmsd >  1.047  ) 
  and bondedto( attr rmsd <  24.882  and attr rmsd > 23.882  )) 
     ( attr rmsd < 3.977  and attr rmsd > 3.877  ) 
  6 6 0  peak  26452  volume  0.79610 ppm1  1.097  ppm2  3.927
assi (( attr rmsd < 1.015  and attr rmsd >  0.915  ) 
  and bondedto( attr rmsd <  25.118  and attr rmsd > 24.118  )) 
     ( attr rmsd < 7.176  and attr rmsd > 7.076  ) 
  6 6 0  peak  26482  volume  4.46950 ppm1  0.965  ppm2  7.126
assi (( attr rmsd < 1.012  and attr rmsd >  0.912  ) 
  and bondedto( attr rmsd <  25.118  and attr rmsd > 24.118  )) 
     ( attr rmsd < 7.433  and attr rmsd > 7.333  ) 
  6 6 0  peak  26492  volume  5.07330 ppm1  0.962  ppm2  7.383
assi (( attr rmsd < 1.021  and attr rmsd >  0.921  ) 
  and bondedto( attr rmsd <  25.118  and attr rmsd > 24.118  )) 
     ( attr rmsd < 1.977  and attr rmsd > 1.877  ) 
  6 6 0  peak  26552  volume  10.65130 ppm1  0.971  ppm2  1.927
assi (( attr rmsd < 1.012  and attr rmsd >  0.912  ) 
  and bondedto( attr rmsd <  25.118  and attr rmsd > 24.118  )) 
     ( attr rmsd < 0.564  and attr rmsd > 0.464  ) 
  6 6 0  peak  26562  volume  2.80140 ppm1  0.962  ppm2  0.514
assi (( attr rmsd < 1.019  and attr rmsd >  0.919  ) 
  and bondedto( attr rmsd <  25.118  and attr rmsd > 24.118  )) 
     ( attr rmsd < 0.27  and attr rmsd > 0.17  ) 
  6 6 0  peak  26572  volume  3.89330 ppm1  0.969  ppm2  0.220
assi (( attr rmsd < 0.788  and attr rmsd >  0.688  ) 
  and bondedto( attr rmsd <  26.775  and attr rmsd > 25.775  )) 
     ( attr rmsd < 7.264  and attr rmsd > 7.164  ) 
  6 6 0  peak  26662  volume  1.86410 ppm1  0.738  ppm2  7.214
assi (( attr rmsd < 1.621  and attr rmsd >  1.521  ) 
  and bondedto( attr rmsd <  28.432  and attr rmsd > 27.432  )) 
     ( attr rmsd < 4.509  and attr rmsd > 4.409  ) 
  6 6 0  peak  26802  volume  3.98390 ppm1  1.571  ppm2  4.459
assi (( attr rmsd < 1.069  and attr rmsd >  0.969  ) 
  and bondedto( attr rmsd <  31.272  and attr rmsd > 30.272  )) 
     ( attr rmsd < 7.47  and attr rmsd > 7.37  ) 
  6 6 0  peak  26992  volume  1.61900 ppm1  1.019  ppm2  7.420
assi (( attr rmsd < 1.511  and attr rmsd >  1.411  ) 
  and bondedto( attr rmsd <  32.929  and attr rmsd > 31.929  )) 
     ( attr rmsd < 7.441  and attr rmsd > 7.341  ) 
  6 6 0  peak  27102  volume  3.86070 ppm1  1.461  ppm2  7.391
assi (( attr rmsd < 1.781  and attr rmsd >  1.681  ) 
  and bondedto( attr rmsd <  33.639  and attr rmsd > 32.639  )) 
     ( attr rmsd < 7.442  and attr rmsd > 7.342  ) 
  6 6 0  peak  27152  volume  6.96270 ppm1  1.731  ppm2  7.392
assi (( attr rmsd < 1.791  and attr rmsd >  1.691  ) 
  and bondedto( attr rmsd <  33.639  and attr rmsd > 32.639  )) 
     ( attr rmsd < 5.126  and attr rmsd > 5.026  ) 
  6 6 0  peak  27182  volume  2.09730 ppm1  1.741  ppm2  5.076
assi (( attr rmsd < 4.325  and attr rmsd >  4.225  ) 
  and bondedto( attr rmsd <  56.836  and attr rmsd > 55.836  )) 
     ( attr rmsd < 7.518  and attr rmsd > 7.418  ) 
  6 6 0  peak  27242  volume  2.88950 ppm1  4.275  ppm2  7.468
assi (( attr rmsd < 2.422  and attr rmsd >  2.322  ) 
  and bondedto( attr rmsd <  34.586  and attr rmsd > 33.586  )) 
     ( attr rmsd < 0.893  and attr rmsd > 0.793  ) 
  6 6 0  peak  27272  volume  4.90700 ppm1  2.372  ppm2  0.843
assi (( attr rmsd < 2.485  and attr rmsd >  2.385  ) 
  and bondedto( attr rmsd <  35.296  and attr rmsd > 34.296  )) 
     ( attr rmsd < 0.88  and attr rmsd > 0.78  ) 
  6 6 0  peak  27312  volume  4.50790 ppm1  2.435  ppm2  0.830
assi (( attr rmsd < 2.874  and attr rmsd >  2.774  ) 
  and bondedto( attr rmsd <  37.663  and attr rmsd > 36.663  )) 
     ( attr rmsd < 0.95  and attr rmsd > 0.85  ) 
  6 6 0  peak  27442  volume  3.43540 ppm1  2.824  ppm2  0.900
assi (( attr rmsd < 2.716  and attr rmsd >  2.616  ) 
  and bondedto( attr rmsd <  38.137  and attr rmsd > 37.137  )) 
     ( attr rmsd < 0.405  and attr rmsd > 0.305  ) 
  6 6 0  peak  27452  volume  2.85000 ppm1  2.666  ppm2  0.355
assi (( attr rmsd < 2.41  and attr rmsd >  2.31  ) 
  and bondedto( attr rmsd <  41.924  and attr rmsd > 40.924  )) 
     ( attr rmsd < 6.911  and attr rmsd > 6.811  ) 
  6 6 0  peak  27622  volume  2.82240 ppm1  2.360  ppm2  6.861
assi (( attr rmsd < 2.969  and attr rmsd >  2.869  ) 
  and bondedto( attr rmsd <  42.161  and attr rmsd > 41.161  )) 
     ( attr rmsd < 7.527  and attr rmsd > 7.427  ) 
  6 6 0  peak  27632  volume  6.69450 ppm1  2.919  ppm2  7.477
assi (( attr rmsd < 3.212  and attr rmsd >  3.112  ) 
  and bondedto( attr rmsd <  43.581  and attr rmsd > 42.581  )) 
     ( attr rmsd < 7.525  and attr rmsd > 7.425  ) 
  6 6 0  peak  27712  volume  1.99590 ppm1  3.162  ppm2  7.475
assi (( attr rmsd < 5.136  and attr rmsd >  5.036  ) 
  and bondedto( attr rmsd <  50.445  and attr rmsd > 49.445  )) 
     ( attr rmsd < 7.441  and attr rmsd > 7.341  ) 
  6 6 0  peak  27762  volume  3.62450 ppm1  5.086  ppm2  7.391
assi (( attr rmsd < 4.181  and attr rmsd >  4.081  ) 
  and bondedto( attr rmsd <  55.416  and attr rmsd > 54.416  )) 
     ( attr rmsd < 0.615  and attr rmsd > 0.515  ) 
  6 6 0  peak  27862  volume  4.66440 ppm1  4.131  ppm2  0.565
assi (( attr rmsd < 4.144  and attr rmsd >  4.044  ) 
  and bondedto( attr rmsd <  55.416  and attr rmsd > 54.416  )) 
     ( attr rmsd < 3.125  and attr rmsd > 3.025  ) 
  6 6 0  peak  27872  volume  1.92650 ppm1  4.094  ppm2  3.075
assi (( attr rmsd < 3.119  and attr rmsd >  3.019  ) 
  and bondedto( attr rmsd <  32.219  and attr rmsd > 31.219  )) 
     ( attr rmsd < 4.145  and attr rmsd > 4.045  ) 
  6 6 0  peak  27942  volume  2.38460 ppm1  3.069  ppm2  4.095
assi (( attr rmsd < 2.872  and attr rmsd >  2.772  ) 
  and bondedto( attr rmsd <  32.219  and attr rmsd > 31.219  )) 
     ( attr rmsd < 4.145  and attr rmsd > 4.045  ) 
  6 6 0  peak  27952  volume  2.44570 ppm1  2.822  ppm2  4.095
assi (( attr rmsd < 2.873  and attr rmsd >  2.773  ) 
  and bondedto( attr rmsd <  32.219  and attr rmsd > 31.219  )) 
     ( attr rmsd < 3.125  and attr rmsd > 3.025  ) 
  6 6 0  peak  27962  volume  15.82780 ppm1  2.823  ppm2  3.075
assi (( attr rmsd < 3.123  and attr rmsd >  3.023  ) 
  and bondedto( attr rmsd <  32.219  and attr rmsd > 31.219  )) 
     ( attr rmsd < 2.871  and attr rmsd > 2.771  ) 
  6 6 0  peak  27972  volume  16.24160 ppm1  3.073  ppm2  2.821
assi (( attr rmsd < 4.296  and attr rmsd >  4.196  ) 
  and bondedto( attr rmsd <  56.516  and attr rmsd > 55.516  )) 
     ( attr rmsd < 0.87  and attr rmsd > 0.77  ) 
  6 6 0  peak  28082  volume  3.89320 ppm1  4.246  ppm2  0.820
assi (( attr rmsd < 4.16  and attr rmsd >  4.06  ) 
  and bondedto( attr rmsd <  57.783  and attr rmsd > 56.783  )) 
     ( attr rmsd < 1.352  and attr rmsd > 1.252  ) 
  6 6 0  peak  28092  volume  4.68730 ppm1  4.110  ppm2  1.302
assi (( attr rmsd < 4.159  and attr rmsd >  4.059  ) 
  and bondedto( attr rmsd <  58.019  and attr rmsd > 57.019  )) 
     ( attr rmsd < 3.692  and attr rmsd > 3.592  ) 
  6 6 0  peak  28132  volume  1.61920 ppm1  4.109  ppm2  3.642
assi (( attr rmsd < 4.289  and attr rmsd >  4.189  ) 
  and bondedto( attr rmsd <  58.73  and attr rmsd > 57.73  )) 
     ( attr rmsd < 1.005  and attr rmsd > 0.905  ) 
  6 6 0  peak  28162  volume  1.50790 ppm1  4.239  ppm2  0.955
assi (( attr rmsd < 4.289  and attr rmsd >  4.189  ) 
  and bondedto( attr rmsd <  62.757  and attr rmsd > 61.757  )) 
     ( attr rmsd < 1.521  and attr rmsd > 1.421  ) 
  6 6 0  peak  28382  volume  2.58650 ppm1  4.239  ppm2  1.471
assi (( attr rmsd < 4.181  and attr rmsd >  4.081  ) 
  and bondedto( attr rmsd <  123.822  and attr rmsd > 122.822  )) 
     ( attr rmsd < 7.456  and attr rmsd > 7.356  ) 
  6 6 0  peak  28442  volume  2.09340 ppm1  4.131  ppm2  7.406
assi (( attr rmsd < 3.712  and attr rmsd >  3.612  ) 
  and bondedto( attr rmsd <  64.41  and attr rmsd > 63.41  )) 
     ( attr rmsd < 4.052  and attr rmsd > 3.952  ) 
  6 6 0  peak  28512  volume  7.68510 ppm1  3.662  ppm2  4.002
assi (( attr rmsd < 4.491  and attr rmsd >  4.391  ) 
  and bondedto( attr rmsd <  69.144  and attr rmsd > 68.144  )) 
     ( attr rmsd < 0.773  and attr rmsd > 0.673  ) 
  6 6 0  peak  28612  volume  2.38180 ppm1  4.441  ppm2  0.723
assi (( attr rmsd < -0.326  and attr rmsd >  -0.426  ) 
  and bondedto( attr rmsd <  20.858  and attr rmsd > 19.858  )) 
     ( attr rmsd < 7.754  and attr rmsd > 7.654  ) 
  6 6 0  peak  28622  volume  0.69380 ppm1  -0.376  ppm2  7.704
assi (( attr rmsd < -0.314  and attr rmsd >  -0.414  ) 
  and bondedto( attr rmsd <  20.858  and attr rmsd > 19.858  )) 
     ( attr rmsd < 3  and attr rmsd > 2.9  ) 
  6 6 0  peak  28632  volume  1.38080 ppm1  -0.364  ppm2  2.950
assi (( attr rmsd < -0.318  and attr rmsd >  -0.418  ) 
  and bondedto( attr rmsd <  20.858  and attr rmsd > 19.858  )) 
     ( attr rmsd < 2.563  and attr rmsd > 2.463  ) 
  6 6 0  peak  28642  volume  1.83490 ppm1  -0.368  ppm2  2.513
assi (( attr rmsd < 0.775  and attr rmsd >  0.675  ) 
  and bondedto( attr rmsd <  23.698  and attr rmsd > 22.698  )) 
     ( attr rmsd < 7.751  and attr rmsd > 7.651  ) 
  6 6 0  peak  28652  volume  0.96460 ppm1  0.725  ppm2  7.701
assi (( attr rmsd < 1.78  and attr rmsd >  1.68  ) 
  and bondedto( attr rmsd <  27.75  and attr rmsd > 26.75  )) 
     ( attr rmsd < 7.758  and attr rmsd > 7.658  ) 
  6 6 0  peak  28662  volume  1.51640 ppm1  1.730  ppm2  7.708
assi (( attr rmsd < 1.436  and attr rmsd >  1.336  ) 
  and bondedto( attr rmsd <  43.817  and attr rmsd > 42.817  )) 
     ( attr rmsd < 7.757  and attr rmsd > 7.657  ) 
  6 6 0  peak  28672  volume  1.02510 ppm1  1.386  ppm2  7.707
!
!
!The last digit in peak ID is the spectrum number

ASSI {    03}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 03 weight  0.1000E+01 volume 360.32990 ppm1 6.604 ppm2 6.710
ASSI {    23}
  (( segid "PROT" and resid 35  and name HZ  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 23 weight  0.1000E+01 volume 29.26870 ppm1 7.016 ppm2 7.399
ASSI {    33}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 33 weight  0.1000E+01 volume 858.95251 ppm1 6.592 ppm2 6.937
ASSI {    43}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 49  and name HD1  ))
     6 6 0 peak 43 weight  0.1000E+01 volume 24.16150 ppm1 6.126 ppm2 5.400
ASSI {    53}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 53 weight  0.1000E+01 volume 279.32040 ppm1 6.695 ppm2 6.925
ASSI {    63}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 63 weight  0.1000E+01 volume 177.67349 ppm1 7.176 ppm2 7.034
ASSI {    73}
  (( segid "PROT" and resid 101  and name HZ  ))
  (( segid "PROT" and resid 101  and name HE1  ))
     6 6 0 peak 73 weight  0.1000E+01 volume 694.11133 ppm1 7.122 ppm2 7.305
ASSI {    83}
  (( segid "PROT" and resid 101  and name HD1  ))
  (( segid "PROT" and resid 101  and name HE1  ))
     6 6 0 peak 83 weight  0.1000E+01 volume 407.26410 ppm1 7.078 ppm2 7.302
ASSI {    93}
  (( segid "PROT" and resid 109  and name HZ  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 93 weight  0.1000E+01 volume 111.21780 ppm1 6.835 ppm2 7.180
ASSI {   103}
  (( segid "PROT" and resid 35  and name HZ  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 103 weight  0.1000E+01 volume 393.20251 ppm1 7.018 ppm2 7.341
ASSI {   113}
  (( segid "PROT" and resid 101  and name HE1  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 113 weight  0.1000E+01 volume 525.34351 ppm1 7.299 ppm2 7.091
ASSI {   123}
  (( segid "PROT" and resid 101  and name HA  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 123 weight  0.1000E+01 volume 104.53210 ppm1 4.486 ppm2 7.083
ASSI {   133}
  (( segid "PROT" and resid 85  and name HA  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 133 weight  0.1000E+01 volume 157.45720 ppm1 4.173 ppm2 6.048
ASSI {   143}
  (( segid "PROT" and resid 101  and name HE1  ))
  (( segid "PROT" and resid 101  and name HZ  ))
     6 6 0 peak 143 weight  0.1000E+01 volume 471.72031 ppm1 7.299 ppm2 7.130
ASSI {   153}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 109  and name HZ  ))
     6 6 0 peak 153 weight  0.1000E+01 volume 112.35230 ppm1 7.176 ppm2 6.846
ASSI {   163}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 35  and name HZ  ))
     6 6 0 peak 163 weight  0.1000E+01 volume 344.82990 ppm1 7.337 ppm2 7.019
ASSI {   173}
  (( segid "PROT" and resid 102  and name HA  ))
  (( segid "PROT" and resid 35  and name HZ  ))
     6 6 0 peak 173 weight  0.1000E+01 volume 46.63500 ppm1 3.226 ppm2 7.024
ASSI {   183}
  (( segid "PROT" and resid 82  and name HB2  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 183 weight  0.1000E+01 volume 52.46980 ppm1 3.083 ppm2 7.467
ASSI {   193}
  (( segid "PROT" and resid 106  and name HB#  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 193 weight  0.1000E+01 volume 101.85690 ppm1 0.889 ppm2 6.073
ASSI {   203}
  (( segid "PROT" and resid 82  and name HZ2  ))
  (( segid "PROT" and resid 82  and name HH2  ))
     6 6 0 peak 203 weight  0.1000E+01 volume 402.64359 ppm1 7.708 ppm2 7.467
ASSI {   213}
  (( segid "PROT" and resid 75  and name HZ2  ))
  (( segid "PROT" and resid 75  and name HH2  ))
     6 6 0 peak 213 weight  0.1000E+01 volume 553.00739 ppm1 7.473 ppm2 7.250
ASSI {   223}
  (( segid "PROT" and resid 82  and name HH2  ))
  (( segid "PROT" and resid 89  and name HH2  ))
     6 6 0 peak 223 weight  0.1000E+01 volume 45.19910 ppm1 7.491 ppm2 6.969
ASSI {   233}
  (( segid "PROT" and resid 89  and name HZ3  ))
  (( segid "PROT" and resid 89  and name HH2  ))
     6 6 0 peak 233 weight  0.1000E+01 volume 47.52040 ppm1 7.235 ppm2 6.968
ASSI {   243}
  (( segid "PROT" and resid 75  and name HE3  ))
  (( segid "PROT" and resid 75  and name HZ3  ))
     6 6 0 peak 243 weight  0.1000E+01 volume 341.10309 ppm1 7.537 ppm2 7.180
ASSI {   253}
  (( segid "PROT" and resid 82  and name HE3  ))
  (( segid "PROT" and resid 82  and name HZ3  ))
     6 6 0 peak 253 weight  0.1000E+01 volume 145.51089 ppm1 7.884 ppm2 7.498
ASSI {   263}
  (( segid "PROT" and resid 89  and name HZ3  ))
  (( segid "PROT" and resid 82  and name HZ3  ))
     6 6 0 peak 263 weight  0.1000E+01 volume 35.12580 ppm1 7.240 ppm2 7.502
ASSI {   273}
  (( segid "PROT" and resid 89  and name HH2  ))
  (( segid "PROT" and resid 82  and name HZ3  ))
     6 6 0 peak 273 weight  0.1000E+01 volume 119.33470 ppm1 6.956 ppm2 7.500
ASSI {   283}
  (( segid "PROT" and resid 75  and name HZ3  ))
  (( segid "PROT" and resid 75  and name HE3  ))
     6 6 0 peak 283 weight  0.1000E+01 volume 290.83221 ppm1 7.170 ppm2 7.540
ASSI {   293}
  (( segid "PROT" and resid 82  and name HZ3  ))
  (( segid "PROT" and resid 82  and name HE3  ))
     6 6 0 peak 293 weight  0.1000E+01 volume 262.06531 ppm1 7.490 ppm2 7.888
ASSI {   313}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 313 weight  0.1000E+01 volume 255.35291 ppm1 6.921 ppm2 6.693
ASSI {   323}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 323 weight  0.1000E+01 volume 53.00630 ppm1 7.176 ppm2 6.605
ASSI {   333}
  (( segid "PROT" and resid 109  and name HZ  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 333 weight  0.1000E+01 volume 92.99380 ppm1 6.847 ppm2 6.606
ASSI {   343}
  (( segid "PROT" and resid 26  and name HD1  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 343 weight  0.1000E+01 volume 1003.55219 ppm1 6.928 ppm2 6.602
ASSI {   353}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 353 weight  0.1000E+01 volume 109.10160 ppm1 7.389 ppm2 6.142
ASSI {   363}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 363 weight  0.1000E+01 volume 45.54350 ppm1 6.925 ppm2 6.144
ASSI {   373}
  (( segid "PROT" and resid 49  and name HD1  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 373 weight  0.1000E+01 volume 149.37740 ppm1 5.407 ppm2 6.138
ASSI {   383}
  (( segid "PROT" and resid 82  and name HH2  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 383 weight  0.1000E+01 volume 517.71143 ppm1 7.459 ppm2 7.711
ASSI {   393}
  (( segid "PROT" and resid 75  and name HH2  ))
  (( segid "PROT" and resid 75  and name HZ2  ))
     6 6 0 peak 393 weight  0.1000E+01 volume 387.80649 ppm1 7.245 ppm2 7.478
ASSI {   403}
  (( segid "PROT" and resid 77  and name HB2  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 403 weight  0.1000E+01 volume 166.28860 ppm1 1.762 ppm2 6.705
ASSI {   413}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 413 weight  0.1000E+01 volume 155.58611 ppm1 1.151 ppm2 6.712
ASSI {   423}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 423 weight  0.1000E+01 volume 24.91960 ppm1 0.495 ppm2 6.708
ASSI {   433}
  (( segid "PROT" and resid 18  and name HD1#  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 433 weight  0.1000E+01 volume 60.00310 ppm1 0.224 ppm2 6.706
ASSI {   443}
  (( segid "PROT" and resid 22  and name HG  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 443 weight  0.1000E+01 volume 201.22240 ppm1 1.847 ppm2 6.932
ASSI {   453}
  (( segid "PROT" and resid 22  and name HD1#  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 453 weight  0.1000E+01 volume 204.04240 ppm1 1.089 ppm2 6.939
ASSI {   463}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 463 weight  0.1000E+01 volume 76.45090 ppm1 0.372 ppm2 7.399
ASSI {   473}
  (( segid "PROT" and resid 52  and name HG2#  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 473 weight  0.1000E+01 volume 203.09460 ppm1 0.987 ppm2 6.923
ASSI {   483}
  (( segid "PROT" and resid 98  and name HG1#  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 483 weight  0.1000E+01 volume 58.39920 ppm1 0.826 ppm2 6.923
ASSI {   493}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 493 weight  0.1000E+01 volume 52.18500 ppm1 0.569 ppm2 6.929
ASSI {   503}
  (( segid "PROT" and resid 106  and name HB#  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 503 weight  0.1000E+01 volume 49.62030 ppm1 0.884 ppm2 7.034
ASSI {   513}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 513 weight  0.1000E+01 volume 47.77270 ppm1 0.875 ppm2 7.179
ASSI {   523}
  (( segid "PROT" and resid 88  and name HB#  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 523 weight  0.1000E+01 volume 371.62430 ppm1 1.740 ppm2 7.348
ASSI {   533}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 533 weight  0.1000E+01 volume 394.55231 ppm1 1.251 ppm2 7.467
ASSI {   543}
  (( segid "PROT" and resid 106  and name HB#  ))
  (( segid "PROT" and resid 82  and name HH2  ))
     6 6 0 peak 543 weight  0.1000E+01 volume 30.05340 ppm1 0.909 ppm2 7.463
ASSI {   553}
  (( segid "PROT" and resid 106  and name HB#  ))
  (( segid "PROT" and resid 89  and name HH2  ))
     6 6 0 peak 553 weight  0.1000E+01 volume 63.13680 ppm1 0.911 ppm2 6.966
ASSI {   563}
  (( segid "PROT" and resid 52  and name HG2#  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 563 weight  0.1000E+01 volume 80.19500 ppm1 0.983 ppm2 6.699
ASSI {   573}
  (( segid "PROT" and resid 52  and name HD1#  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 573 weight  0.1000E+01 volume 102.77530 ppm1 0.905 ppm2 6.696
ASSI {   583}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 583 weight  0.1000E+01 volume 98.71250 ppm1 1.153 ppm2 6.601
ASSI {   593}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 593 weight  0.1000E+01 volume 107.24310 ppm1 0.873 ppm2 6.604
ASSI {   603}
  (( segid "PROT" and resid 18  and name HD2#  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 603 weight  0.1000E+01 volume 16.83300 ppm1 0.491 ppm2 6.603
ASSI {   613}
  (( segid "PROT" and resid 63  and name HB1  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 613 weight  0.1000E+01 volume 128.71291 ppm1 1.993 ppm2 6.600
ASSI {   623}
  (( segid "PROT" and resid 36  and name HB2  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 623 weight  0.1000E+01 volume 251.29359 ppm1 1.874 ppm2 6.598
ASSI {   633}
  (( segid "PROT" and resid 77  and name HB2  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 633 weight  0.1000E+01 volume 11.81070 ppm1 1.760 ppm2 6.603
ASSI {   643}
  (( segid "PROT" and resid 59  and name HB2  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 643 weight  0.1000E+01 volume 107.11890 ppm1 1.307 ppm2 6.600
ASSI {   653}
  (( segid "PROT" and resid 22  and name HD1#  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 653 weight  0.1000E+01 volume 392.56369 ppm1 1.088 ppm2 6.599
ASSI {   663}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 663 weight  0.1000E+01 volume 30.38270 ppm1 0.720 ppm2 6.604
ASSI {   673}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 673 weight  0.1000E+01 volume 100.70610 ppm1 0.221 ppm2 6.599
ASSI {   683}
  (( segid "PROT" and resid 39  and name HG1#  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 683 weight  0.1000E+01 volume 82.65160 ppm1 0.723 ppm2 6.141
ASSI {   693}
  (( segid "PROT" and resid 106  and name HB#  ))
  (( segid "PROT" and resid 89  and name HZ2  ))
     6 6 0 peak 693 weight  0.1000E+01 volume 179.43581 ppm1 0.910 ppm2 6.952
ASSI {   703}
  (( segid "PROT" and resid 103  and name HA  ))
  (( segid "PROT" and resid 89  and name HZ2  ))
     6 6 0 peak 703 weight  0.1000E+01 volume 59.76920 ppm1 4.436 ppm2 6.952
ASSI {   713}
  (( segid "PROT" and resid 88  and name HB#  ))
  (( segid "PROT" and resid 35  and name HZ  ))
     6 6 0 peak 713 weight  0.1000E+01 volume 9.54920 ppm1 1.740 ppm2 7.024
ASSI {   723}
  (( segid "PROT" and resid 98  and name HG1#  ))
  (( segid "PROT" and resid 35  and name HZ  ))
     6 6 0 peak 723 weight  0.1000E+01 volume 13.20740 ppm1 0.782 ppm2 7.024
ASSI {   733}
  (( segid "PROT" and resid 82  and name HA  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 733 weight  0.1000E+01 volume 9.40450 ppm1 3.975 ppm2 7.467
ASSI {   743}
  (( segid "PROT" and resid 82  and name HB1  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 743 weight  0.1000E+01 volume 28.15650 ppm1 3.262 ppm2 7.472
ASSI {   753}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 753 weight  0.1000E+01 volume 9.46650 ppm1 6.692 ppm2 6.141
ASSI {   763}
  (( segid "PROT" and resid 56  and name HA  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 763 weight  0.1000E+01 volume 3.03520 ppm1 4.117 ppm2 6.140
ASSI {   773}
  (( segid "PROT" and resid 49  and name HA  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 773 weight  0.1000E+01 volume 8.38550 ppm1 3.577 ppm2 6.139
ASSI {   783}
  (( segid "PROT" and resid 91  and name HB2  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 783 weight  0.1000E+01 volume 5.32280 ppm1 2.887 ppm2 6.127
ASSI {   793}
  (( segid "PROT" and resid 91  and name HB1  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 793 weight  0.1000E+01 volume 2.00880 ppm1 2.979 ppm2 6.129
ASSI {   803}
  (( segid "PROT" and resid 49  and name HB1  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 803 weight  0.1000E+01 volume 4.38020 ppm1 2.732 ppm2 6.140
ASSI {   813}
  (( segid "PROT" and resid 56  and name HB1  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 813 weight  0.1000E+01 volume 6.78070 ppm1 2.432 ppm2 6.141
ASSI {   823}
  (( segid "PROT" and resid 56  and name HB2  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 823 weight  0.1000E+01 volume 13.17170 ppm1 2.126 ppm2 6.141
ASSI {   833}
  (( segid "PROT" and resid 49  and name HB2  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 833 weight  0.1000E+01 volume 14.76310 ppm1 1.967 ppm2 6.142
ASSI {   843}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 843 weight  0.1000E+01 volume 11.76440 ppm1 6.136 ppm2 6.928
ASSI {   853}
  (( segid "PROT" and resid 49  and name HD1  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 853 weight  0.1000E+01 volume 3.42210 ppm1 5.417 ppm2 7.419
ASSI {   863}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 863 weight  0.1000E+01 volume 13.24090 ppm1 6.137 ppm2 7.414
ASSI {   873}
  (( segid "PROT" and resid 50  and name HA  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 873 weight  0.1000E+01 volume 81.16650 ppm1 4.965 ppm2 7.425
ASSI {   883}
  (( segid "PROT" and resid 50  and name HB1  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 883 weight  0.1000E+01 volume 37.69850 ppm1 3.459 ppm2 7.426
ASSI {   893}
  (( segid "PROT" and resid 50  and name HB2  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 893 weight  0.1000E+01 volume 18.51510 ppm1 2.923 ppm2 7.420
ASSI {   903}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 903 weight  0.1000E+01 volume 297.80399 ppm1 7.333 ppm2 7.397
ASSI {   913}
  (( segid "PROT" and resid 32  and name HA  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 913 weight  0.1000E+01 volume 55.12980 ppm1 4.348 ppm2 7.402
ASSI {   923}
  (( segid "PROT" and resid 35  and name HA  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 923 weight  0.1000E+01 volume 62.60780 ppm1 4.735 ppm2 7.396
ASSI {   933}
  (( segid "PROT" and resid 100  and name HA  ))
  (( segid "PROT" and resid 99  and name HD1  ))
     6 6 0 peak 933 weight  0.1000E+01 volume 6.27260 ppm1 4.300 ppm2 7.115
ASSI {   943}
  (( segid "PROT" and resid 89  and name HD1  ))
  (( segid "PROT" and resid 99  and name HD1  ))
     6 6 0 peak 943 weight  0.1000E+01 volume 11.27490 ppm1 5.003 ppm2 7.115
ASSI {   953}
  (( segid "PROT" and resid 99  and name HA  ))
  (( segid "PROT" and resid 99  and name HD1  ))
     6 6 0 peak 953 weight  0.1000E+01 volume 10.89360 ppm1 3.768 ppm2 7.122
ASSI {   963}
  (( segid "PROT" and resid 49  and name HD1  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 963 weight  0.1000E+01 volume 5.37280 ppm1 5.408 ppm2 6.700
ASSI {   973}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 973 weight  0.1000E+01 volume 11.05110 ppm1 6.138 ppm2 6.700
ASSI {   983}
  (( segid "PROT" and resid 49  and name HA  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 983 weight  0.1000E+01 volume 22.01280 ppm1 3.567 ppm2 6.696
ASSI {   993}
  (( segid "PROT" and resid 91  and name HA  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 993 weight  0.1000E+01 volume 15.59940 ppm1 3.994 ppm2 6.701
ASSI {  1003}
  (( segid "PROT" and resid 91  and name HB2  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 1003 weight  0.1000E+01 volume 11.38730 ppm1 2.889 ppm2 6.699
ASSI {  1013}
  (( segid "PROT" and resid 91  and name HB1  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 1013 weight  0.1000E+01 volume 3.01630 ppm1 2.962 ppm2 6.698
ASSI {  1023}
  (( segid "PROT" and resid 91  and name HA  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 1023 weight  0.1000E+01 volume 78.02820 ppm1 4.003 ppm2 6.928
ASSI {  1033}
  (( segid "PROT" and resid 77  and name HA  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 1033 weight  0.1000E+01 volume 39.07370 ppm1 3.375 ppm2 6.710
ASSI {  1043}
  (( segid "PROT" and resid 18  and name HA  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 1043 weight  0.1000E+01 volume 4.49950 ppm1 4.180 ppm2 6.716
ASSI {  1053}
  (( segid "PROT" and resid 26  and name HA  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 1053 weight  0.1000E+01 volume 36.75700 ppm1 3.698 ppm2 6.933
ASSI {  1063}
  (( segid "PROT" and resid 9  and name HA  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 1063 weight  0.1000E+01 volume 38.15110 ppm1 4.629 ppm2 7.317
ASSI {  1073}
  (( segid "PROT" and resid 8  and name HA  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 1073 weight  0.1000E+01 volume 6.92420 ppm1 4.268 ppm2 7.314
ASSI {  1083}
  (( segid "PROT" and resid 101  and name HA  ))
  (( segid "PROT" and resid 101  and name HE1  ))
     6 6 0 peak 1083 weight  0.1000E+01 volume 12.75670 ppm1 4.487 ppm2 7.298
ASSI {  1093}
  (( segid "PROT" and resid 79  and name HA  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 1093 weight  0.1000E+01 volume 13.08390 ppm1 4.542 ppm2 7.463
ASSI {  1103}
  (( segid "PROT" and resid 103  and name HA  ))
  (( segid "PROT" and resid 89  and name HH2  ))
     6 6 0 peak 1103 weight  0.1000E+01 volume 25.44920 ppm1 4.438 ppm2 6.968
ASSI {  1113}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 1113 weight  0.1000E+01 volume 3.37780 ppm1 -0.273 ppm2 6.714
ASSI {  1123}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 1123 weight  0.1000E+01 volume 11.66760 ppm1 7.173 ppm2 6.708
ASSI {  1133}
  (( segid "PROT" and resid 71  and name HD1  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 1133 weight  0.1000E+01 volume 18.45030 ppm1 6.841 ppm2 6.712
ASSI {  1143}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 1143 weight  0.1000E+01 volume 9.75910 ppm1 -0.268 ppm2 6.607
ASSI {  1153}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 1153 weight  0.1000E+01 volume 4.55600 ppm1 7.016 ppm2 6.712
ASSI {  1163}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 1163 weight  0.1000E+01 volume 11.45100 ppm1 6.599 ppm2 7.180
ASSI {  1173}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 1173 weight  0.1000E+01 volume 4.43070 ppm1 6.050 ppm2 7.173
ASSI {  1183}
  (( segid "PROT" and resid 110  and name HA  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 1183 weight  0.1000E+01 volume 7.37140 ppm1 4.027 ppm2 7.179
ASSI {  1203}
  (( segid "PROT" and resid 78  and name HA  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 1203 weight  0.1000E+01 volume 14.32500 ppm1 3.050 ppm2 7.180
ASSI {  1213}
  (( segid "PROT" and resid 85  and name HE1  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 1213 weight  0.1000E+01 volume 19.26020 ppm1 6.049 ppm2 7.032
ASSI {  1223}
  (( segid "PROT" and resid 109  and name HA  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 1223 weight  0.1000E+01 volume 36.61200 ppm1 4.020 ppm2 7.037
ASSI {  1233}
  (( segid "PROT" and resid 109  and name HB1  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 1233 weight  0.1000E+01 volume 18.70750 ppm1 3.328 ppm2 7.033
ASSI {  1243}
  (( segid "PROT" and resid 109  and name HB2  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 1243 weight  0.1000E+01 volume 27.19210 ppm1 3.053 ppm2 7.036
ASSI {  1253}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 1253 weight  0.1000E+01 volume 8.89570 ppm1 -0.261 ppm2 7.177
ASSI {  1263}
  (( segid "PROT" and resid 81  and name HG1#  ))
  (( segid "PROT" and resid 109  and name HZ  ))
     6 6 0 peak 1263 weight  0.1000E+01 volume 13.32840 ppm1 -0.273 ppm2 6.841
ASSI {  1273}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 109  and name HZ  ))
     6 6 0 peak 1273 weight  0.1000E+01 volume 16.86410 ppm1 7.034 ppm2 6.841
ASSI {  1283}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 109  and name HZ  ))
     6 6 0 peak 1283 weight  0.1000E+01 volume 9.63020 ppm1 6.707 ppm2 6.844
ASSI {  1293}
  (( segid "PROT" and resid 77  and name HE1  ))
  (( segid "PROT" and resid 109  and name HZ  ))
     6 6 0 peak 1293 weight  0.1000E+01 volume 13.34750 ppm1 6.607 ppm2 6.848
ASSI {  1303}
  (( segid "PROT" and resid 109  and name HZ  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 1303 weight  0.1000E+01 volume 12.78380 ppm1 6.834 ppm2 7.032
ASSI {  1313}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 1313 weight  0.1000E+01 volume 9.70360 ppm1 -1.498 ppm2 7.037
ASSI {  1323}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 1323 weight  0.1000E+01 volume 13.13480 ppm1 -1.510 ppm2 7.175
ASSI {  1333}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 109  and name HZ  ))
     6 6 0 peak 1333 weight  0.1000E+01 volume 5.29630 ppm1 -1.515 ppm2 6.843
ASSI {  1343}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 109  and name HZ  ))
     6 6 0 peak 1343 weight  0.1000E+01 volume 15.60040 ppm1 0.707 ppm2 6.845
ASSI {  1353}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 109  and name HZ  ))
     6 6 0 peak 1353 weight  0.1000E+01 volume 18.85260 ppm1 0.871 ppm2 6.848
ASSI {  1363}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 109  and name HZ  ))
     6 6 0 peak 1363 weight  0.1000E+01 volume 28.61850 ppm1 1.098 ppm2 6.846
ASSI {  1373}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 109  and name HZ  ))
     6 6 0 peak 1373 weight  0.1000E+01 volume 14.04240 ppm1 1.250 ppm2 6.848
ASSI {  1383}
  (( segid "PROT" and resid 78  and name HA  ))
  (( segid "PROT" and resid 109  and name HZ  ))
     6 6 0 peak 1383 weight  0.1000E+01 volume 21.64650 ppm1 3.052 ppm2 6.851
ASSI {  1393}
  (( segid "PROT" and resid 82  and name HA  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 1393 weight  0.1000E+01 volume 18.15070 ppm1 3.975 ppm2 6.050
ASSI {  1403}
  (( segid "PROT" and resid 89  and name HH2  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 1403 weight  0.1000E+01 volume 9.73810 ppm1 7.011 ppm2 6.047
ASSI {  1413}
  (( segid "PROT" and resid 82  and name HZ3  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 1413 weight  0.1000E+01 volume 8.71240 ppm1 7.465 ppm2 6.047
ASSI {  1423}
  (( segid "PROT" and resid 82  and name HE3  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 1423 weight  0.1000E+01 volume 11.77730 ppm1 7.877 ppm2 6.048
ASSI {  1433}
  (( segid "PROT" and resid 85  and name HB1  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 1433 weight  0.1000E+01 volume 18.92570 ppm1 2.475 ppm2 6.047
ASSI {  1443}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 1443 weight  0.1000E+01 volume 4.28080 ppm1 6.056 ppm2 7.342
ASSI {  1453}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 82  and name HH2  ))
     6 6 0 peak 1453 weight  0.1000E+01 volume 6.75480 ppm1 6.044 ppm2 7.459
ASSI {  1463}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 89  and name HH2  ))
     6 6 0 peak 1463 weight  0.1000E+01 volume 7.28080 ppm1 6.031 ppm2 6.969
ASSI {  1473}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 82  and name HZ3  ))
     6 6 0 peak 1473 weight  0.1000E+01 volume 12.59970 ppm1 6.042 ppm2 7.495
ASSI {  1483}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 82  and name HE3  ))
     6 6 0 peak 1483 weight  0.1000E+01 volume 54.03160 ppm1 6.045 ppm2 7.890
ASSI {  1493}
  (( segid "PROT" and resid 89  and name HH2  ))
  (( segid "PROT" and resid 82  and name HE3  ))
     6 6 0 peak 1493 weight  0.1000E+01 volume 17.03460 ppm1 6.963 ppm2 7.885
ASSI {  1503}
  (( segid "PROT" and resid 89  and name HZ3  ))
  (( segid "PROT" and resid 82  and name HE3  ))
     6 6 0 peak 1503 weight  0.1000E+01 volume 19.06910 ppm1 7.240 ppm2 7.886
ASSI {  1513}
  (( segid "PROT" and resid 82  and name HA  ))
  (( segid "PROT" and resid 82  and name HE3  ))
     6 6 0 peak 1513 weight  0.1000E+01 volume 49.94480 ppm1 3.973 ppm2 7.888
ASSI {  1523}
  (( segid "PROT" and resid 82  and name HB1  ))
  (( segid "PROT" and resid 82  and name HE3  ))
     6 6 0 peak 1523 weight  0.1000E+01 volume 11.12090 ppm1 3.283 ppm2 7.890
ASSI {  1533}
  (( segid "PROT" and resid 82  and name HB2  ))
  (( segid "PROT" and resid 82  and name HE3  ))
     6 6 0 peak 1533 weight  0.1000E+01 volume 20.94090 ppm1 3.099 ppm2 7.885
ASSI {  1543}
  (( segid "PROT" and resid 82  and name HA  ))
  (( segid "PROT" and resid 82  and name HZ3  ))
     6 6 0 peak 1543 weight  0.1000E+01 volume 3.07270 ppm1 3.980 ppm2 7.516
ASSI {  1553}
  (( segid "PROT" and resid 82  and name HE3  ))
  (( segid "PROT" and resid 89  and name HH2  ))
     6 6 0 peak 1553 weight  0.1000E+01 volume 6.78410 ppm1 7.882 ppm2 6.961
ASSI {  1563}
  (( segid "PROT" and resid 89  and name HE3  ))
  (( segid "PROT" and resid 89  and name HH2  ))
     6 6 0 peak 1563 weight  0.1000E+01 volume 4.47010 ppm1 7.612 ppm2 6.968
ASSI {  1573}
  (( segid "PROT" and resid 82  and name HZ2  ))
  (( segid "PROT" and resid 82  and name HZ3  ))
     6 6 0 peak 1573 weight  0.1000E+01 volume 15.86500 ppm1 7.710 ppm2 7.499
ASSI {  1583}
  (( segid "PROT" and resid 82  and name HE3  ))
  (( segid "PROT" and resid 82  and name HH2  ))
     6 6 0 peak 1583 weight  0.1000E+01 volume 14.92500 ppm1 7.885 ppm2 7.467
ASSI {  1593}
  (( segid "PROT" and resid 89  and name HH2  ))
  (( segid "PROT" and resid 82  and name HH2  ))
     6 6 0 peak 1593 weight  0.1000E+01 volume 16.30240 ppm1 6.961 ppm2 7.463
ASSI {  1603}
  (( segid "PROT" and resid 89  and name HH2  ))
  (( segid "PROT" and resid 89  and name HZ3  ))
     6 6 0 peak 1603 weight  0.1000E+01 volume 18.93920 ppm1 6.956 ppm2 7.246
ASSI {  1613}
  (( segid "PROT" and resid 82  and name HZ3  ))
  (( segid "PROT" and resid 89  and name HZ3  ))
     6 6 0 peak 1613 weight  0.1000E+01 volume 11.24990 ppm1 7.492 ppm2 7.243
ASSI {  1623}
  (( segid "PROT" and resid 89  and name HA  ))
  (( segid "PROT" and resid 89  and name HE3  ))
     6 6 0 peak 1623 weight  0.1000E+01 volume 5.44770 ppm1 4.787 ppm2 7.625
ASSI {  1633}
  (( segid "PROT" and resid 89  and name HB2  ))
  (( segid "PROT" and resid 89  and name HE3  ))
     6 6 0 peak 1633 weight  0.1000E+01 volume 2.37250 ppm1 3.137 ppm2 7.629
ASSI {  1643}
  (( segid "PROT" and resid 89  and name HB1  ))
  (( segid "PROT" and resid 89  and name HE3  ))
     6 6 0 peak 1643 weight  0.1000E+01 volume 5.18210 ppm1 3.319 ppm2 7.630
ASSI {  1653}
  (( segid "PROT" and resid 89  and name HE3  ))
  (( segid "PROT" and resid 89  and name HZ3  ))
     6 6 0 peak 1653 weight  0.1000E+01 volume 11.39100 ppm1 7.609 ppm2 7.248
ASSI {  1663}
  (( segid "PROT" and resid 89  and name HA  ))
  (( segid "PROT" and resid 89  and name HZ3  ))
     6 6 0 peak 1663 weight  0.1000E+01 volume 3.26970 ppm1 4.782 ppm2 7.246
ASSI {  1673}
  (( segid "PROT" and resid 89  and name HZ3  ))
  (( segid "PROT" and resid 89  and name HZ2  ))
     6 6 0 peak 1673 weight  0.1000E+01 volume 16.81570 ppm1 7.243 ppm2 6.954
ASSI {  1683}
  (( segid "PROT" and resid 82  and name HZ3  ))
  (( segid "PROT" and resid 89  and name HZ2  ))
     6 6 0 peak 1683 weight  0.1000E+01 volume 10.30540 ppm1 7.484 ppm2 6.958
ASSI {  1703}
  (( segid "PROT" and resid 103  and name HB1  ))
  (( segid "PROT" and resid 89  and name HZ2  ))
     6 6 0 peak 1703 weight  0.1000E+01 volume 16.66780 ppm1 4.241 ppm2 6.953
ASSI {  1713}
  (( segid "PROT" and resid 103  and name HB2  ))
  (( segid "PROT" and resid 89  and name HZ2  ))
     6 6 0 peak 1713 weight  0.1000E+01 volume 17.74550 ppm1 4.095 ppm2 6.951
ASSI {  1723}
  (( segid "PROT" and resid 75  and name HA  ))
  (( segid "PROT" and resid 75  and name HE3  ))
     6 6 0 peak 1723 weight  0.1000E+01 volume 20.52260 ppm1 4.191 ppm2 7.540
ASSI {  1733}
  (( segid "PROT" and resid 76  and name HA  ))
  (( segid "PROT" and resid 75  and name HE3  ))
     6 6 0 peak 1733 weight  0.1000E+01 volume 9.22490 ppm1 3.877 ppm2 7.535
ASSI {  1743}
  (( segid "PROT" and resid 75  and name HB1  ))
  (( segid "PROT" and resid 75  and name HE3  ))
     6 6 0 peak 1743 weight  0.1000E+01 volume 12.47060 ppm1 3.591 ppm2 7.535
ASSI {  1753}
  (( segid "PROT" and resid 75  and name HB2  ))
  (( segid "PROT" and resid 75  and name HE3  ))
     6 6 0 peak 1753 weight  0.1000E+01 volume 10.43200 ppm1 3.233 ppm2 7.540
ASSI {  1763}
  (( segid "PROT" and resid 78  and name HB  ))
  (( segid "PROT" and resid 75  and name HE3  ))
     6 6 0 peak 1763 weight  0.1000E+01 volume 15.38810 ppm1 2.263 ppm2 7.540
ASSI {  1773}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 75  and name HE3  ))
     6 6 0 peak 1773 weight  0.1000E+01 volume 14.37040 ppm1 1.093 ppm2 7.541
ASSI {  1783}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 75  and name HE3  ))
     6 6 0 peak 1783 weight  0.1000E+01 volume 12.07910 ppm1 1.251 ppm2 7.541
ASSI {  1793}
  (( segid "PROT" and resid 89  and name HZ3  ))
  (( segid "PROT" and resid 82  and name HH2  ))
     6 6 0 peak 1793 weight  0.1000E+01 volume 20.75540 ppm1 7.241 ppm2 7.461
ASSI {  1803}
  (( segid "PROT" and resid 110  and name HB1  ))
  (( segid "PROT" and resid 82  and name HH2  ))
     6 6 0 peak 1803 weight  0.1000E+01 volume 3.71660 ppm1 2.362 ppm2 7.469
ASSI {  1813}
  (( segid "PROT" and resid 106  and name HB#  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 1813 weight  0.1000E+01 volume 11.92500 ppm1 0.907 ppm2 7.711
ASSI {  1823}
  (( segid "PROT" and resid 110  and name HG2  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 1823 weight  0.1000E+01 volume 24.84300 ppm1 2.503 ppm2 7.715
ASSI {  1833}
  (( segid "PROT" and resid 110  and name HG1  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 1833 weight  0.1000E+01 volume 32.33500 ppm1 2.809 ppm2 7.705
ASSI {  1843}
  (( segid "PROT" and resid 82  and name HA  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 1843 weight  0.1000E+01 volume 14.31700 ppm1 3.983 ppm2 7.705
ASSI {  1853}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 1853 weight  0.1000E+01 volume 10.02480 ppm1 7.032 ppm2 7.706
ASSI {  1863}
  (( segid "PROT" and resid 89  and name HZ3  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 1863 weight  0.1000E+01 volume 6.38680 ppm1 7.249 ppm2 7.701
ASSI {  1873}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 1873 weight  0.1000E+01 volume 8.82370 ppm1 7.175 ppm2 7.706
ASSI {  1883}
  (( segid "PROT" and resid 106  and name HB#  ))
  (( segid "PROT" and resid 82  and name HZ3  ))
     6 6 0 peak 1883 weight  0.1000E+01 volume 16.40660 ppm1 0.908 ppm2 7.502
ASSI {  1893}
  (( segid "PROT" and resid 110  and name HG2  ))
  (( segid "PROT" and resid 82  and name HH2  ))
     6 6 0 peak 1893 weight  0.1000E+01 volume 14.00460 ppm1 2.500 ppm2 7.465
ASSI {  1903}
  (( segid "PROT" and resid 110  and name HG1  ))
  (( segid "PROT" and resid 82  and name HH2  ))
     6 6 0 peak 1903 weight  0.1000E+01 volume 9.82980 ppm1 2.807 ppm2 7.459
ASSI {  1913}
  (( segid "PROT" and resid 9  and name HB1  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 1913 weight  0.1000E+01 volume 104.71670 ppm1 2.853 ppm2 7.316
ASSI {  1923}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 1923 weight  0.1000E+01 volume 19.54930 ppm1 0.257 ppm2 7.313
ASSI {  1933}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 1933 weight  0.1000E+01 volume 10.06310 ppm1 0.342 ppm2 7.320
ASSI {  1943}
  (( segid "PROT" and resid 8  and name HA  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 1943 weight  0.1000E+01 volume 5.36840 ppm1 4.247 ppm2 7.405
ASSI {  1953}
  (( segid "PROT" and resid 9  and name HA  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 1953 weight  0.1000E+01 volume 13.68100 ppm1 4.622 ppm2 7.395
ASSI {  1963}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 1963 weight  0.1000E+01 volume 7.92560 ppm1 0.226 ppm2 7.396
ASSI {  1973}
  (( segid "PROT" and resid 59  and name HD1#  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 1973 weight  0.1000E+01 volume 23.38520 ppm1 0.223 ppm2 6.941
ASSI {  1983}
  (( segid "PROT" and resid 88  and name HA  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 1983 weight  0.1000E+01 volume 2.94710 ppm1 4.344 ppm2 6.932
ASSI {  1993}
  (( segid "PROT" and resid 35  and name HB1  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 1993 weight  0.1000E+01 volume 89.74170 ppm1 3.830 ppm2 7.400
ASSI {  2003}
  (( segid "PROT" and resid 84  and name HA  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 2003 weight  0.1000E+01 volume 14.97270 ppm1 3.642 ppm2 7.400
ASSI {  2013}
  (( segid "PROT" and resid 56  and name HG1  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 2013 weight  0.1000E+01 volume 21.56760 ppm1 2.128 ppm2 7.405
ASSI {  2023}
  (( segid "PROT" and resid 56  and name HG2  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 2023 weight  0.1000E+01 volume 12.46070 ppm1 1.964 ppm2 7.401
ASSI {  2033}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 2033 weight  0.1000E+01 volume 23.85390 ppm1 0.900 ppm2 6.045
ASSI {  2043}
  (( segid "PROT" and resid 84  and name HE#  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 2043 weight  0.1000E+01 volume 16.57710 ppm1 1.211 ppm2 6.050
ASSI {  2053}
  (( segid "PROT" and resid 85  and name HB2  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 2053 weight  0.1000E+01 volume 12.84680 ppm1 1.490 ppm2 6.047
ASSI {  2063}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 2063 weight  0.1000E+01 volume 13.78530 ppm1 -1.502 ppm2 6.044
ASSI {  2073}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 2073 weight  0.1000E+01 volume 13.96680 ppm1 7.028 ppm2 6.069
ASSI {  2083}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 2083 weight  0.1000E+01 volume 14.52150 ppm1 -1.512 ppm2 6.061
ASSI {  2093}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 2093 weight  0.1000E+01 volume 10.01960 ppm1 0.657 ppm2 6.073
ASSI {  2103}
  (( segid "PROT" and resid 106  and name HA  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 2103 weight  0.1000E+01 volume 9.98660 ppm1 3.414 ppm2 6.078
ASSI {  2113}
  (( segid "PROT" and resid 109  and name HB1  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 2113 weight  0.1000E+01 volume 11.72290 ppm1 3.340 ppm2 6.083
ASSI {  2123}
  (( segid "PROT" and resid 109  and name HB2  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 2123 weight  0.1000E+01 volume 5.74800 ppm1 3.053 ppm2 6.079
ASSI {  2133}
  (( segid "PROT" and resid 75  and name HA  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 2133 weight  0.1000E+01 volume 16.11810 ppm1 4.189 ppm2 7.469
ASSI {  2143}
  (( segid "PROT" and resid 75  and name HB1  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 2143 weight  0.1000E+01 volume 48.57950 ppm1 3.593 ppm2 7.465
ASSI {  2153}
  (( segid "PROT" and resid 71  and name HE1  ))
  (( segid "PROT" and resid 71  and name HD1  ))
     6 6 0 peak 2153 weight  0.1000E+01 volume 10.82350 ppm1 6.543 ppm2 6.847
ASSI {  2163}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 2163 weight  0.1000E+01 volume 12.85230 ppm1 -0.381 ppm2 6.141
ASSI {  2173}
  (( segid "PROT" and resid 88  and name HA  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 2173 weight  0.1000E+01 volume 10.19130 ppm1 4.348 ppm2 7.337
ASSI {  2183}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 2183 weight  0.1000E+01 volume 13.46520 ppm1 0.376 ppm2 7.344
ASSI {  2193}
  (( segid "PROT" and resid 46  and name HG2#  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 2193 weight  0.1000E+01 volume 15.36300 ppm1 0.723 ppm2 6.700
ASSI {  2203}
  (( segid "PROT" and resid 98  and name HG1#  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 2203 weight  0.1000E+01 volume 22.47000 ppm1 0.829 ppm2 6.697
ASSI {  2213}
  (( segid "PROT" and resid 101  and name HB2  ))
  (( segid "PROT" and resid 101  and name HE1  ))
     6 6 0 peak 2213 weight  0.1000E+01 volume 11.55130 ppm1 3.656 ppm2 7.344
ASSI {  2223}
  (( segid "PROT" and resid 102  and name HA  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 2223 weight  0.1000E+01 volume 3.79500 ppm1 3.232 ppm2 7.339
ASSI {  2233}
  (( segid "PROT" and resid 35  and name HD1  ))
  (( segid "PROT" and resid 35  and name HZ  ))
     6 6 0 peak 2233 weight  0.1000E+01 volume 13.17920 ppm1 7.401 ppm2 7.019
ASSI {  2243}
  (( segid "PROT" and resid 98  and name HG2#  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 2243 weight  0.1000E+01 volume 18.17800 ppm1 0.780 ppm2 7.349
ASSI {  2253}
  (( segid "PROT" and resid 88  and name HB#  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 2253 weight  0.1000E+01 volume 18.22450 ppm1 1.744 ppm2 7.402
ASSI {  2263}
  (( segid "PROT" and resid 59  and name HG  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 2263 weight  0.1000E+01 volume 8.17700 ppm1 1.588 ppm2 7.400
ASSI {  2273}
  (( segid "PROT" and resid 34  and name HB1  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 2273 weight  0.1000E+01 volume 1.69510 ppm1 2.091 ppm2 7.400
ASSI {  2293}
  (( segid "PROT" and resid 34  and name HB2  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 2293 weight  0.1000E+01 volume 15.27700 ppm1 0.560 ppm2 7.400
ASSI {  2303}
  (( segid "PROT" and resid 9  and name HE1  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 2303 weight  0.1000E+01 volume 204.23750 ppm1 7.388 ppm2 7.319
ASSI {  2313}
  (( segid "PROT" and resid 26  and name HB1  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 2313 weight  0.1000E+01 volume 190.56090 ppm1 2.881 ppm2 6.937
ASSI {  2333}
  (( segid "PROT" and resid 60  and name HB2  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 2333 weight  0.1000E+01 volume 8.44270 ppm1 3.991 ppm2 6.599
ASSI {  2343}
  (( segid "PROT" and resid 36  and name HA  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 2343 weight  0.1000E+01 volume 18.56720 ppm1 3.925 ppm2 6.600
ASSI {  2353}
  (( segid "PROT" and resid 26  and name HA  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 2353 weight  0.1000E+01 volume 14.03130 ppm1 3.691 ppm2 6.600
ASSI {  2363}
  (( segid "PROT" and resid 36  and name HD2  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 2363 weight  0.1000E+01 volume 7.79850 ppm1 3.043 ppm2 6.599
ASSI {  2373}
  (( segid "PROT" and resid 26  and name HB1  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 2373 weight  0.1000E+01 volume 27.77020 ppm1 2.883 ppm2 6.599
ASSI {  2383}
  (( segid "PROT" and resid 101  and name HB1  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 2383 weight  0.1000E+01 volume 16.26880 ppm1 3.901 ppm2 7.082
ASSI {  2393}
  (( segid "PROT" and resid 34  and name HD1  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 2393 weight  0.1000E+01 volume 7.19890 ppm1 3.795 ppm2 7.082
ASSI {  2403}
  (( segid "PROT" and resid 101  and name HB2  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 2403 weight  0.1000E+01 volume 10.44480 ppm1 3.638 ppm2 7.083
ASSI {  2413}
  (( segid "PROT" and resid 102  and name HA  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 2413 weight  0.1000E+01 volume 5.09600 ppm1 3.259 ppm2 7.087
ASSI {  2423}
  (( segid "PROT" and resid 31  and name HG1  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 2423 weight  0.1000E+01 volume 1.23270 ppm1 2.290 ppm2 7.076
ASSI {  2433}
  (( segid "PROT" and resid 100  and name HB1  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 2433 weight  0.1000E+01 volume 12.69890 ppm1 2.048 ppm2 7.086
ASSI {  2443}
  (( segid "PROT" and resid 30  and name HG1  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 2443 weight  0.1000E+01 volume 13.87600 ppm1 1.921 ppm2 7.087
ASSI {  2453}
  (( segid "PROT" and resid 100  and name HD1  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 2453 weight  0.1000E+01 volume 5.97060 ppm1 1.747 ppm2 7.076
ASSI {  2463}
  (( segid "PROT" and resid 100  and name HD2  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 2463 weight  0.1000E+01 volume 4.45400 ppm1 1.664 ppm2 7.080
ASSI {  2473}
  (( segid "PROT" and resid 100  and name HG2  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 2473 weight  0.1000E+01 volume 13.68880 ppm1 1.580 ppm2 7.087
ASSI {  2483}
  (( segid "PROT" and resid 30  and name HG2  ))
  (( segid "PROT" and resid 101  and name HZ  ))
     6 6 0 peak 2483 weight  0.1000E+01 volume 5.65000 ppm1 1.084 ppm2 7.130
ASSI {  2493}
  (( segid "PROT" and resid 91  and name HB1  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 2493 weight  0.1000E+01 volume 15.94270 ppm1 2.979 ppm2 6.925
ASSI {  2503}
  (( segid "PROT" and resid 52  and name HB  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 2503 weight  0.1000E+01 volume 12.33240 ppm1 1.818 ppm2 6.696
ASSI {  2513}
  (( segid "PROT" and resid 52  and name HG11  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 2513 weight  0.1000E+01 volume 12.17100 ppm1 1.556 ppm2 6.699
ASSI {  2523}
  (( segid "PROT" and resid 52  and name HG12  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 2523 weight  0.1000E+01 volume 5.13400 ppm1 1.382 ppm2 6.699
ASSI {  2533}
  (( segid "PROT" and resid 97  and name HD1  ))
  (( segid "PROT" and resid 101  and name HE1  ))
     6 6 0 peak 2533 weight  0.1000E+01 volume 6.05900 ppm1 2.996 ppm2 7.302
ASSI {  2543}
  (( segid "PROT" and resid 35  and name HB1  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 2543 weight  0.1000E+01 volume 16.73420 ppm1 3.877 ppm2 7.346
ASSI {  2553}
  (( segid "PROT" and resid 99  and name HB1  ))
  (( segid "PROT" and resid 99  and name HD1  ))
     6 6 0 peak 2553 weight  0.1000E+01 volume 25.71430 ppm1 3.394 ppm2 7.116
ASSI {  2563}
  (( segid "PROT" and resid 94  and name HA  ))
  (( segid "PROT" and resid 99  and name HD1  ))
     6 6 0 peak 2563 weight  0.1000E+01 volume 6.54030 ppm1 2.157 ppm2 7.118
ASSI {  2573}
  (( segid "PROT" and resid 99  and name HB2  ))
  (( segid "PROT" and resid 99  and name HD1  ))
     6 6 0 peak 2573 weight  0.1000E+01 volume 22.30530 ppm1 2.582 ppm2 7.114
ASSI {  2583}
  (( segid "PROT" and resid 89  and name HA  ))
  (( segid "PROT" and resid 99  and name HD1  ))
     6 6 0 peak 2583 weight  0.1000E+01 volume 18.90820 ppm1 4.782 ppm2 7.116
ASSI {  2593}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 2593 weight  0.1000E+01 volume 14.41870 ppm1 0.432 ppm2 6.929
ASSI {  2613}
  (( segid "PROT" and resid 84  and name HE#  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 2613 weight  0.1000E+01 volume 6.34080 ppm1 1.201 ppm2 6.077
ASSI {  2623}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 2623 weight  0.1000E+01 volume 2.51530 ppm1 0.380 ppm2 6.077
ASSI {  2633}
  (( segid "PROT" and resid 106  and name HB#  ))
  (( segid "PROT" and resid 82  and name HE3  ))
     6 6 0 peak 2633 weight  0.1000E+01 volume 7.69270 ppm1 0.909 ppm2 7.886
ASSI {  2643}
  (( segid "PROT" and resid 81  and name HB  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 2643 weight  0.1000E+01 volume 3.90740 ppm1 0.881 ppm2 7.464
ASSI {  2653}
  (( segid "PROT" and resid 120  and name HG  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 2653 weight  0.1000E+01 volume 20.78940 ppm1 1.758 ppm2 7.400
ASSI {  2663}
  (( segid "PROT" and resid 7  and name HD1  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 2663 weight  0.1000E+01 volume 17.76820 ppm1 1.498 ppm2 7.400
ASSI {  2683}
  (( segid "PROT" and resid 35  and name HB2  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 2683 weight  0.1000E+01 volume 17.99800 ppm1 2.596 ppm2 7.400
ASSI {  2693}
  (( segid "PROT" and resid 3  and name HA  ))
  (( segid "PROT" and resid 3  and name HD2  ))
     6 6 0 peak 2693 weight  0.1000E+01 volume 11.59370 ppm1 4.598 ppm2 7.015
ASSI {  2703}
  (( segid "PROT" and resid 3  and name HB2  ))
  (( segid "PROT" and resid 3  and name HD2  ))
     6 6 0 peak 2703 weight  0.1000E+01 volume 40.35570 ppm1 3.012 ppm2 7.015
ASSI {  2713}
  (( segid "PROT" and resid 3  and name HB1  ))
  (( segid "PROT" and resid 3  and name HD2  ))
     6 6 0 peak 2713 weight  0.1000E+01 volume 22.31300 ppm1 3.100 ppm2 7.013
ASSI {  2723}
  (( segid "PROT" and resid 14  and name HA  ))
  (( segid "PROT" and resid 9  and name HZ  ))
     6 6 0 peak 2723 weight  0.1000E+01 volume 21.44140 ppm1 3.766 ppm2 7.368
ASSI {  2733}
  (( segid "PROT" and resid 120  and name HG  ))
  (( segid "PROT" and resid 9  and name HZ  ))
     6 6 0 peak 2733 weight  0.1000E+01 volume 43.64850 ppm1 1.747 ppm2 7.373
ASSI {  2743}
  (( segid "PROT" and resid 7  and name HD1  ))
  (( segid "PROT" and resid 9  and name HZ  ))
     6 6 0 peak 2743 weight  0.1000E+01 volume 26.48100 ppm1 1.481 ppm2 7.377
ASSI {  2753}
  (( segid "PROT" and resid 120  and name HB2  ))
  (( segid "PROT" and resid 9  and name HZ  ))
     6 6 0 peak 2753 weight  0.1000E+01 volume 38.47120 ppm1 1.606 ppm2 7.375
ASSI {  2763}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 2763 weight  0.1000E+01 volume 12.94970 ppm1 0.725 ppm2 6.714
ASSI {  2773}
  (( segid "PROT" and resid 113  and name HD1#  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 2773 weight  0.1000E+01 volume 10.90560 ppm1 0.873 ppm2 6.712
ASSI {  2783}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 2783 weight  0.1000E+01 volume 4.79630 ppm1 0.379 ppm2 6.042
ASSI {  2793}
  (( segid "PROT" and resid 63  and name HD1  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 2793 weight  0.1000E+01 volume 3.81760 ppm1 1.444 ppm2 6.929
ASSI {  2803}
  (( segid "PROT" and resid 59  and name HB2  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 2803 weight  0.1000E+01 volume 9.51900 ppm1 1.328 ppm2 6.928
ASSI {  2813}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 2813 weight  0.1000E+01 volume 12.24050 ppm1 0.339 ppm2 6.712
ASSI {  2823}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 2823 weight  0.1000E+01 volume 8.16790 ppm1 1.256 ppm2 6.712
ASSI {  2833}
  (( segid "PROT" and resid 62  and name HD1#  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 2833 weight  0.1000E+01 volume 8.61660 ppm1 0.336 ppm2 6.604
ASSI {  2843}
  (( segid "PROT" and resid 53  and name HG2#  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 2843 weight  0.1000E+01 volume 21.77880 ppm1 0.598 ppm2 6.142
ASSI {  2853}
  (( segid "PROT" and resid 52  and name HG2#  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 2853 weight  0.1000E+01 volume 15.73190 ppm1 1.006 ppm2 6.141
ASSI {  2863}
  (( segid "PROT" and resid 39  and name HB  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 2863 weight  0.1000E+01 volume 8.54270 ppm1 1.456 ppm2 6.141
ASSI {  2873}
  (( segid "PROT" and resid 99  and name HE1  ))
  (( segid "PROT" and resid 89  and name HD1  ))
     6 6 0 peak 2873 weight  0.1000E+01 volume 7.56930 ppm1 7.034 ppm2 5.006
ASSI {  2883}
  (( segid "PROT" and resid 99  and name HD1  ))
  (( segid "PROT" and resid 89  and name HD1  ))
     6 6 0 peak 2883 weight  0.1000E+01 volume 6.79780 ppm1 7.110 ppm2 5.005
ASSI {  2903}
  (( segid "PROT" and resid 89  and name HA  ))
  (( segid "PROT" and resid 89  and name HD1  ))
     6 6 0 peak 2903 weight  0.1000E+01 volume 28.94040 ppm1 4.795 ppm2 5.009
ASSI {  2913}
  (( segid "PROT" and resid 99  and name HA  ))
  (( segid "PROT" and resid 89  and name HD1  ))
     6 6 0 peak 2913 weight  0.1000E+01 volume 1.28860 ppm1 3.770 ppm2 5.008
ASSI {  2923}
  (( segid "PROT" and resid 36  and name HB1  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 2923 weight  0.1000E+01 volume 34.39700 ppm1 2.147 ppm2 6.599
ASSI {  2933}
  (( segid "PROT" and resid 63  and name HD1  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 2933 weight  0.1000E+01 volume 31.58030 ppm1 1.448 ppm2 6.600
ASSI {  2943}
  (( segid "PROT" and resid 59  and name HD2#  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 2943 weight  0.1000E+01 volume 23.34440 ppm1 0.567 ppm2 6.603
ASSI {  2953}
  (( segid "PROT" and resid 36  and name HD1  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 2953 weight  0.1000E+01 volume 8.60110 ppm1 3.184 ppm2 6.599
ASSI {  2963}
  (( segid "PROT" and resid 60  and name HB1  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 2963 weight  0.1000E+01 volume 4.97370 ppm1 4.322 ppm2 6.596
ASSI {  2973}
  (( segid "PROT" and resid 60  and name HA  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 2973 weight  0.1000E+01 volume 4.69180 ppm1 4.220 ppm2 6.600
ASSI {  2993}
  (( segid "PROT" and resid 36  and name HB1  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 2993 weight  0.1000E+01 volume 18.91360 ppm1 2.129 ppm2 6.927
ASSI {  3003}
  (( segid "PROT" and resid 84  and name HE#  ))
  (( segid "PROT" and resid 35  and name HD1  ))
     6 6 0 peak 3003 weight  0.1000E+01 volume 5.35800 ppm1 1.213 ppm2 7.399
ASSI {  3023}
  (( segid "PROT" and resid 13  and name HB1  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 3023 weight  0.1000E+01 volume 4.72520 ppm1 2.420 ppm2 7.315
ASSI {  3033}
  (( segid "PROT" and resid 13  and name HB2  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 3033 weight  0.1000E+01 volume 11.89200 ppm1 2.181 ppm2 7.317
ASSI {  3043}
  (( segid "PROT" and resid 82  and name HA  ))
  (( segid "PROT" and resid 82  and name HH2  ))
     6 6 0 peak 3043 weight  0.1000E+01 volume 4.46840 ppm1 3.984 ppm2 7.459
ASSI {  3053}
  (( segid "PROT" and resid 41  and name HD1  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 3053 weight  0.1000E+01 volume 5.63210 ppm1 3.779 ppm2 7.393
ASSI {  3073}
  (( segid "PROT" and resid 41  and name HG2  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 3073 weight  0.1000E+01 volume 8.17260 ppm1 1.090 ppm2 7.393
ASSI {  3093}
  (( segid "PROT" and resid 14  and name HG  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 3093 weight  0.1000E+01 volume 4.88290 ppm1 1.401 ppm2 7.319
ASSI {  3113}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 3113 weight  0.1000E+01 volume 26.53760 ppm1 1.097 ppm2 7.468
ASSI {  3123}
  (( segid "PROT" and resid 73  and name HB1  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 3123 weight  0.1000E+01 volume 14.56770 ppm1 2.174 ppm2 7.469
ASSI {  3133}
  (( segid "PROT" and resid 74  and name HD1  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 3133 weight  0.1000E+01 volume 8.19530 ppm1 3.744 ppm2 7.468
ASSI {  3143}
  (( segid "PROT" and resid 31  and name HA  ))
  (( segid "PROT" and resid 101  and name HD1  ))
     6 6 0 peak 3143 weight  0.1000E+01 volume 10.29240 ppm1 2.566 ppm2 7.089
ASSI {  3153}
  (( segid "PROT" and resid 92  and name HB1  ))
  (( segid "PROT" and resid 99  and name HD1  ))
     6 6 0 peak 3153 weight  0.1000E+01 volume 7.46490 ppm1 3.098 ppm2 7.116
ASSI {  3163}
  (( segid "PROT" and resid 110  and name HB1  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 3163 weight  0.1000E+01 volume 8.17780 ppm1 2.367 ppm2 7.714
ASSI {  3173}
  (( segid "PROT" and resid 110  and name HB2  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 3173 weight  0.1000E+01 volume 4.81820 ppm1 2.156 ppm2 7.711
ASSI {  3183}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 3183 weight  0.1000E+01 volume 6.27040 ppm1 0.702 ppm2 7.705
ASSI {  3193}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 3193 weight  0.1000E+01 volume 2.26880 ppm1 6.055 ppm2 7.704
ASSI {  3203}
  (( segid "PROT" and resid 89  and name HH2  ))
  (( segid "PROT" and resid 82  and name HZ2  ))
     6 6 0 peak 3203 weight  0.1000E+01 volume 7.47750 ppm1 6.961 ppm2 7.713
ASSI {  3213}
  (( segid "PROT" and resid 75  and name HZ3  ))
  (( segid "PROT" and resid 75  and name HZ2  ))
     6 6 0 peak 3213 weight  0.1000E+01 volume 13.28850 ppm1 7.179 ppm2 7.477
ASSI {  3263}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 49  and name HE1  ))
     6 6 0 peak 3263 weight  0.1000E+01 volume 27.13490 ppm1 0.434 ppm2 6.139
ASSI {  3273}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 3273 weight  0.1000E+01 volume 6.39790 ppm1 -1.515 ppm2 6.607
ASSI {  3293}
  (( segid "PROT" and resid 71  and name HB1  ))
  (( segid "PROT" and resid 71  and name HE1  ))
     6 6 0 peak 3293 weight  0.1000E+01 volume 6.64500 ppm1 2.780 ppm2 6.597
ASSI {  3303}
  (( segid "PROT" and resid 59  and name HB1  ))
  (( segid "PROT" and resid 26  and name HE1  ))
     6 6 0 peak 3303 weight  0.1000E+01 volume 22.70720 ppm1 1.706 ppm2 6.599
ASSI {  3313}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 3313 weight  0.1000E+01 volume 15.42180 ppm1 0.827 ppm2 6.605
ASSI {  3323}
  (( segid "PROT" and resid 21  and name HG2#  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 3323 weight  0.1000E+01 volume 20.62350 ppm1 1.271 ppm2 6.598
ASSI {  3333}
  (( segid "PROT" and resid 18  and name HA  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 3333 weight  0.1000E+01 volume 4.29110 ppm1 4.187 ppm2 6.603
ASSI {  3343}
  (( segid "PROT" and resid 22  and name HA  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 3343 weight  0.1000E+01 volume 2.68400 ppm1 4.301 ppm2 6.603
ASSI {  3353}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 77  and name HE1  ))
     6 6 0 peak 3353 weight  0.1000E+01 volume 7.21090 ppm1 7.024 ppm2 6.610
ASSI {  3363}
  (( segid "PROT" and resid 49  and name HB1  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 3363 weight  0.1000E+01 volume 3.43060 ppm1 2.737 ppm2 6.697
ASSI {  3373}
  (( segid "PROT" and resid 53  and name HG1#  ))
  (( segid "PROT" and resid 91  and name HE1  ))
     6 6 0 peak 3373 weight  0.1000E+01 volume 9.95890 ppm1 0.434 ppm2 6.703
ASSI {  3403}
  (( segid "PROT" and resid 85  and name HA  ))
  (( segid "PROT" and resid 82  and name HE3  ))
     6 6 0 peak 3403 weight  0.1000E+01 volume 3.96140 ppm1 4.183 ppm2 7.888
ASSI {  3413}
  (( segid "PROT" and resid 85  and name HB1  ))
  (( segid "PROT" and resid 82  and name HE3  ))
     6 6 0 peak 3413 weight  0.1000E+01 volume 10.47910 ppm1 2.478 ppm2 7.882
ASSI {  3423}
  (( segid "PROT" and resid 85  and name HB2  ))
  (( segid "PROT" and resid 82  and name HE3  ))
     6 6 0 peak 3423 weight  0.1000E+01 volume 5.80210 ppm1 1.458 ppm2 7.889
ASSI {  3433}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 82  and name HE3  ))
     6 6 0 peak 3433 weight  0.1000E+01 volume 1.28500 ppm1 -1.511 ppm2 7.890
ASSI {  3443}
  (( segid "PROT" and resid 75  and name HH2  ))
  (( segid "PROT" and resid 75  and name HE3  ))
     6 6 0 peak 3443 weight  0.1000E+01 volume 7.32280 ppm1 7.233 ppm2 7.534
ASSI {  3453}
  (( segid "PROT" and resid 89  and name HE3  ))
  (( segid "PROT" and resid 82  and name HZ3  ))
     6 6 0 peak 3453 weight  0.1000E+01 volume 19.88570 ppm1 7.608 ppm2 7.497
ASSI {  3463}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 75  and name HZ3  ))
     6 6 0 peak 3463 weight  0.1000E+01 volume 11.91010 ppm1 1.102 ppm2 7.181
ASSI {  3473}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 75  and name HZ3  ))
     6 6 0 peak 3473 weight  0.1000E+01 volume 12.65630 ppm1 1.251 ppm2 7.174
ASSI {  3493}
  (( segid "PROT" and resid 78  and name HB  ))
  (( segid "PROT" and resid 75  and name HZ3  ))
     6 6 0 peak 3493 weight  0.1000E+01 volume 2.24850 ppm1 2.252 ppm2 7.177
ASSI {  3503}
  (( segid "PROT" and resid 75  and name HH2  ))
  (( segid "PROT" and resid 75  and name HZ3  ))
     6 6 0 peak 3503 weight  0.1000E+01 volume 63.40260 ppm1 7.242 ppm2 7.176
ASSI {  3513}
  (( segid "PROT" and resid 75  and name HZ2  ))
  (( segid "PROT" and resid 75  and name HZ3  ))
     6 6 0 peak 3513 weight  0.1000E+01 volume 19.41750 ppm1 7.478 ppm2 7.175
ASSI {  3523}
  (( segid "PROT" and resid 89  and name HB2  ))
  (( segid "PROT" and resid 89  and name HD1  ))
     6 6 0 peak 3523 weight  0.1000E+01 volume 1.75700 ppm1 3.060 ppm2 5.008
ASSI {  3533}
  (( segid "PROT" and resid 75  and name HZ3  ))
  (( segid "PROT" and resid 75  and name HH2  ))
     6 6 0 peak 3533 weight  0.1000E+01 volume 35.35650 ppm1 7.176 ppm2 7.250
ASSI {  3543}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 75  and name HH2  ))
     6 6 0 peak 3543 weight  0.1000E+01 volume 8.72360 ppm1 1.104 ppm2 7.242
ASSI {  3553}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 75  and name HH2  ))
     6 6 0 peak 3553 weight  0.1000E+01 volume 4.83370 ppm1 1.248 ppm2 7.259
ASSI {  3573}
  (( segid "PROT" and resid 85  and name HB2  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 3573 weight  0.1000E+01 volume 7.35570 ppm1 1.495 ppm2 6.081
ASSI {  3583}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 85  and name HE1  ))
     6 6 0 peak 3583 weight  0.1000E+01 volume 5.27600 ppm1 0.554 ppm2 6.077
ASSI {  3593}
  (( segid "PROT" and resid 109  and name HE1  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 3593 weight  0.1000E+01 volume 20.85820 ppm1 7.176 ppm2 7.469
ASSI {  3603}
  (( segid "PROT" and resid 75  and name HB2  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 3603 weight  0.1000E+01 volume 32.58340 ppm1 3.258 ppm2 7.468
ASSI {  3613}
  (( segid "PROT" and resid 73  and name HG2  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 3613 weight  0.1000E+01 volume 23.91480 ppm1 2.248 ppm2 7.469
ASSI {  3623}
  (( segid "PROT" and resid 74  and name HG1  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 3623 weight  0.1000E+01 volume 7.29820 ppm1 1.763 ppm2 7.464
ASSI {  3633}
  (( segid "PROT" and resid 74  and name HG2  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 3633 weight  0.1000E+01 volume 13.47280 ppm1 1.399 ppm2 7.471
ASSI {  3643}
  (( segid "PROT" and resid 73  and name HG1  ))
  (( segid "PROT" and resid 75  and name HD1  ))
     6 6 0 peak 3643 weight  0.1000E+01 volume 2.86290 ppm1 2.431 ppm2 7.472
ASSI {  3653}
  (( segid "PROT" and resid 85  and name HD1  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 3653 weight  0.1000E+01 volume 3.22880 ppm1 6.049 ppm2 7.464
ASSI {  3663}
  (( segid "PROT" and resid 81  and name HG2#  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 3663 weight  0.1000E+01 volume 7.63380 ppm1 -1.518 ppm2 7.474
ASSI {  3673}
  (( segid "PROT" and resid 82  and name HE3  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 3673 weight  0.1000E+01 volume 4.67820 ppm1 7.882 ppm2 7.470
ASSI {  3683}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 82  and name HD1  ))
     6 6 0 peak 3683 weight  0.1000E+01 volume 5.72200 ppm1 7.026 ppm2 7.470
ASSI {  3693}
  (( segid "PROT" and resid 99  and name HA  ))
  (( segid "PROT" and resid 35  and name HZ  ))
     6 6 0 peak 3693 weight  0.1000E+01 volume 3.96190 ppm1 3.769 ppm2 7.016
ASSI {  3703}
  (( segid "PROT" and resid 102  and name HB1  ))
  (( segid "PROT" and resid 35  and name HZ  ))
     6 6 0 peak 3703 weight  0.1000E+01 volume 18.14690 ppm1 3.024 ppm2 7.026
ASSI {  3713}
  (( segid "PROT" and resid 102  and name HB2  ))
  (( segid "PROT" and resid 35  and name HZ  ))
     6 6 0 peak 3713 weight  0.1000E+01 volume 18.32250 ppm1 2.693 ppm2 7.022
ASSI {  3723}
  (( segid "PROT" and resid 30  and name HG1  ))
  (( segid "PROT" and resid 101  and name HZ  ))
     6 6 0 peak 3723 weight  0.1000E+01 volume 9.17430 ppm1 1.906 ppm2 7.130
ASSI {  3733}
  (( segid "PROT" and resid 30  and name HB1  ))
  (( segid "PROT" and resid 101  and name HZ  ))
     6 6 0 peak 3733 weight  0.1000E+01 volume 20.57020 ppm1 2.084 ppm2 7.129
ASSI {  3743}
  (( segid "PROT" and resid 97  and name HD1  ))
  (( segid "PROT" and resid 101  and name HZ  ))
     6 6 0 peak 3743 weight  0.1000E+01 volume 9.75590 ppm1 2.990 ppm2 7.129
ASSI {  3763}
  (( segid "PROT" and resid 106  and name HA  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 3763 weight  0.1000E+01 volume 7.58240 ppm1 3.416 ppm2 6.039
ASSI {  3773}
  (( segid "PROT" and resid 82  and name HB1  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 3773 weight  0.1000E+01 volume 3.81880 ppm1 3.347 ppm2 6.052
ASSI {  3783}
  (( segid "PROT" and resid 82  and name HB2  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 3783 weight  0.1000E+01 volume 6.21290 ppm1 3.056 ppm2 6.056
ASSI {  3793}
  (( segid "PROT" and resid 105  and name HB1  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 3793 weight  0.1000E+01 volume 7.97390 ppm1 1.414 ppm2 6.054
ASSI {  3803}
  (( segid "PROT" and resid 105  and name HB2  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 3803 weight  0.1000E+01 volume 12.69360 ppm1 1.089 ppm2 6.046
ASSI {  3813}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 3813 weight  0.1000E+01 volume 4.28110 ppm1 0.562 ppm2 6.040
ASSI {  3823}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 85  and name HD1  ))
     6 6 0 peak 3823 weight  0.1000E+01 volume 4.86520 ppm1 0.665 ppm2 6.049
ASSI {  3833}
  (( segid "PROT" and resid 7  and name HE1  ))
  (( segid "PROT" and resid 9  and name HZ  ))
     6 6 0 peak 3833 weight  0.1000E+01 volume 12.86960 ppm1 2.672 ppm2 7.373
ASSI {  3843}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 9  and name HZ  ))
     6 6 0 peak 3843 weight  0.1000E+01 volume 8.83760 ppm1 0.648 ppm2 7.374
ASSI {  3853}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 9  and name HZ  ))
     6 6 0 peak 3853 weight  0.1000E+01 volume 12.76120 ppm1 0.591 ppm2 7.366
ASSI {  3873}
  (( segid "PROT" and resid 35  and name HB2  ))
  (( segid "PROT" and resid 35  and name HE1  ))
     6 6 0 peak 3873 weight  0.1000E+01 volume 14.26990 ppm1 2.592 ppm2 7.346
ASSI {  3883}
  (( segid "PROT" and resid 100  and name HB1  ))
  (( segid "PROT" and resid 101  and name HE1  ))
     6 6 0 peak 3883 weight  0.1000E+01 volume 16.79320 ppm1 2.092 ppm2 7.304
ASSI {  3913}
  (( segid "PROT" and resid 100  and name HG2  ))
  (( segid "PROT" and resid 101  and name HE1  ))
     6 6 0 peak 3913 weight  0.1000E+01 volume 19.77330 ppm1 1.590 ppm2 7.310
ASSI {  3923}
  (( segid "PROT" and resid 77  and name HD1  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 3923 weight  0.1000E+01 volume 6.92720 ppm1 6.712 ppm2 7.188
ASSI {  3933}
  (( segid "PROT" and resid 109  and name HD1  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 3933 weight  0.1000E+01 volume 82.72220 ppm1 7.033 ppm2 7.183
ASSI {  3943}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 3943 weight  0.1000E+01 volume 7.28030 ppm1 0.707 ppm2 7.179
ASSI {  3953}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 3953 weight  0.1000E+01 volume 18.70630 ppm1 1.094 ppm2 7.183
ASSI {  3963}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 3963 weight  0.1000E+01 volume 40.99420 ppm1 1.249 ppm2 7.178
ASSI {  3973}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 109  and name HE1  ))
     6 6 0 peak 3973 weight  0.1000E+01 volume 7.90220 ppm1 7.461 ppm2 7.188
ASSI {  3983}
  (( segid "PROT" and resid 82  and name HD1  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 3983 weight  0.1000E+01 volume 3.60670 ppm1 7.463 ppm2 7.019
ASSI {  3993}
  (( segid "PROT" and resid 106  and name HA  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 3993 weight  0.1000E+01 volume 4.80350 ppm1 3.408 ppm2 7.031
ASSI {  4003}
  (( segid "PROT" and resid 78  and name HG2#  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 4003 weight  0.1000E+01 volume 9.74840 ppm1 1.096 ppm2 7.045
ASSI {  4013}
  (( segid "PROT" and resid 78  and name HG1#  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 4013 weight  0.1000E+01 volume 12.90760 ppm1 1.256 ppm2 7.038
ASSI {  4023}
  (( segid "PROT" and resid 113  and name HG2#  ))
  (( segid "PROT" and resid 109  and name HD1  ))
     6 6 0 peak 4023 weight  0.1000E+01 volume 34.67000 ppm1 0.670 ppm2 7.037
ASSI {  4033}
  (( segid "PROT" and resid 7  and name HE1  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 4033 weight  0.1000E+01 volume 4.96470 ppm1 2.664 ppm2 7.393
ASSI {  4053}
  (( segid "PROT" and resid 9  and name HB1  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 4053 weight  0.1000E+01 volume 30.08520 ppm1 2.872 ppm2 7.398
ASSI {  4063}
  (( segid "PROT" and resid 56  and name HB1  ))
  (( segid "PROT" and resid 50  and name HE1  ))
     6 6 0 peak 4063 weight  0.1000E+01 volume 8.56210 ppm1 2.421 ppm2 7.400
ASSI {  4073}
  (( segid "PROT" and resid 13  and name HB2  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 4073 weight  0.1000E+01 volume 4.93220 ppm1 2.176 ppm2 7.393
ASSI {  4083}
  (( segid "PROT" and resid 56  and name HG1  ))
  (( segid "PROT" and resid 50  and name HE1  ))
     6 6 0 peak 4083 weight  0.1000E+01 volume 11.31690 ppm1 2.137 ppm2 7.396
ASSI {  4093}
  (( segid "PROT" and resid 120  and name HB2  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 4093 weight  0.1000E+01 volume 26.18260 ppm1 1.597 ppm2 7.397
ASSI {  4103}
  (( segid "PROT" and resid 120  and name HD1#  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 4103 weight  0.1000E+01 volume 7.40870 ppm1 0.595 ppm2 7.396
ASSI {  4113}
  (( segid "PROT" and resid 14  and name HD2#  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 4113 weight  0.1000E+01 volume 1.73480 ppm1 0.256 ppm2 7.379
ASSI {  4123}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 4123 weight  0.1000E+01 volume 2.76800 ppm1 0.340 ppm2 7.396
ASSI {  4133}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 4133 weight  0.1000E+01 volume 7.13370 ppm1 0.648 ppm2 7.327
ASSI {  4143}
  (( segid "PROT" and resid 120  and name HD2#  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 4143 weight  0.1000E+01 volume 16.00390 ppm1 0.647 ppm2 7.397
ASSI {  4153}
  (( segid "PROT" and resid 9  and name HD1  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 4153 weight  0.1000E+01 volume 76.37480 ppm1 7.317 ppm2 7.391
ASSI {  4163}
  (( segid "PROT" and resid 14  and name HA  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 4163 weight  0.1000E+01 volume 11.22890 ppm1 3.760 ppm2 7.319
ASSI {  4183}
  (( segid "PROT" and resid 7  and name HE1  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 4183 weight  0.1000E+01 volume 6.98570 ppm1 2.665 ppm2 7.324
ASSI {  4193}
  (( segid "PROT" and resid 120  and name HG  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 4193 weight  0.1000E+01 volume 12.01320 ppm1 1.759 ppm2 7.326
ASSI {  4203}
  (( segid "PROT" and resid 120  and name HB2  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 4203 weight  0.1000E+01 volume 9.27780 ppm1 1.603 ppm2 7.322
ASSI {  4213}
  (( segid "PROT" and resid 7  and name HD1  ))
  (( segid "PROT" and resid 9  and name HD1  ))
     6 6 0 peak 4213 weight  0.1000E+01 volume 15.70050 ppm1 1.522 ppm2 7.324
ASSI {  4223}
  (( segid "PROT" and resid 14  and name HG  ))
  (( segid "PROT" and resid 9  and name HE1  ))
     6 6 0 peak 4223 weight  0.1000E+01 volume 7.50420 ppm1 1.407 ppm2 7.386
ASSI {  4233}
  (( segid "PROT" and resid 52  and name HD1#  ))
  (( segid "PROT" and resid 91  and name HD1  ))
     6 6 0 peak 4233 weight  0.1000E+01 volume 11.75510 ppm1 0.911 ppm2 6.921
ASSI {  4253}
  (( segid "PROT" and resid 59  and name HB1  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 4253 weight  0.1000E+01 volume 10.28260 ppm1 1.715 ppm2 6.927
ASSI {  4273}
  (( segid "PROT" and resid 36  and name HD1  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 4273 weight  0.1000E+01 volume 4.84080 ppm1 3.171 ppm2 6.934
ASSI {  4283}
  (( segid "PROT" and resid 36  and name HD2  ))
  (( segid "PROT" and resid 26  and name HD1  ))
     6 6 0 peak 4283 weight  0.1000E+01 volume 5.35520 ppm1 3.084 ppm2 6.930
ASSI {  4313}
  (( segid "PROT" and resid 66  and name HD2#  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 4313 weight  0.1000E+01 volume 11.22280 ppm1 0.830 ppm2 6.709
ASSI {  4323}
  (( segid "PROT" and resid 22  and name HD2#  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 4323 weight  0.1000E+01 volume 94.05120 ppm1 1.097 ppm2 6.710
ASSI {  4333}
  (( segid "PROT" and resid 77  and name HB1  ))
  (( segid "PROT" and resid 77  and name HD1  ))
     6 6 0 peak 4333 weight  0.1000E+01 volume 31.24490 ppm1 2.637 ppm2 6.709
ASSI {  4353}
  (( segid "PROT" and resid 71  and name HD1  ))
  (( segid "PROT" and resid 71  and name HE1  ))
     6 6 0 peak 4353 weight  0.1000E+01 volume 33.96520 ppm1 6.842 ppm2 6.563
ASSI {  4363}
  (( segid "PROT" and resid 14  and name HD1#  ))
  (( segid "PROT" and resid 9  and name HZ  ))
     6 6 0 peak 4363 weight  0.1000E+01 volume 5.74060 ppm1 0.351 ppm2 7.355
ASSI {  4383}
  (( segid "PROT" and resid 50  and name HA  ))
  (( segid "PROT" and resid 50  and name HZ  ))
     6 6 0 peak 4383 weight  0.1000E+01 volume 3.27970 ppm1 4.971 ppm2 7.376
ASSI {  4403}
  (( segid "PROT" and resid 49  and name HE1  ))
  (( segid "PROT" and resid 50  and name HZ  ))
     6 6 0 peak 4403 weight  0.1000E+01 volume 6.45480 ppm1 6.133 ppm2 7.384
ASSI {  4413}
  (( segid "PROT" and resid 41  and name HD2  ))
  (( segid "PROT" and resid 50  and name HZ  ))
     6 6 0 peak 4413 weight  0.1000E+01 volume 15.40450 ppm1 3.717 ppm2 7.375
ASSI {  4423}
  (( segid "PROT" and resid 41  and name HD2  ))
  (( segid "PROT" and resid 50  and name HD1  ))
     6 6 0 peak 4423 weight  0.1000E+01 volume 6.00150 ppm1 3.737 ppm2 7.393
ASSI {  4433}
  (( segid "PROT" and resid 56  and name HG2  ))
  (( segid "PROT" and resid 50  and name HZ  ))
     6 6 0 peak 4433 weight  0.1000E+01 volume 4.48320 ppm1 1.966 ppm2 7.367
ASSI {  4443}
  (( segid "PROT" and resid 56  and name HG1  ))
  (( segid "PROT" and resid 50  and name HZ  ))
     6 6 0 peak 4443 weight  0.1000E+01 volume 5.41470 ppm1 2.129 ppm2 7.373
ASSI {  4453}
  (( segid "PROT" and resid 56  and name HB1  ))
  (( segid "PROT" and resid 50  and name HZ  ))
     6 6 0 peak 4453 weight  0.1000E+01 volume 4.24270 ppm1 2.438 ppm2 7.379
ASSI {  4463}
  (( segid "PROT" and resid 41  and name HG2  ))
  (( segid "PROT" and resid 50  and name HZ  ))
     6 6 0 peak 4463 weight  0.1000E+01 volume 4.37520 ppm1 1.077 ppm2 7.365
ASSI {  4473}
  (( segid "PROT" and resid 41  and name HG2  ))
  (( segid "PROT" and resid 50  and name HE1  ))
     6 6 0 peak 4473 weight  0.1000E+01 volume 6.17830 ppm1 1.080 ppm2 7.386
ASSI {  4483}
  (( segid "PROT" and resid 56  and name HG2  ))
  (( segid "PROT" and resid 50  and name HE1  ))
     6 6 0 peak 4483 weight  0.1000E+01 volume 5.11890 ppm1 1.955 ppm2 7.394
ASSI {  4503}
  (( segid "PROT" and resid 89  and name HH2  ))
  (( segid "PROT" and resid 85  and name HZ  ))
     6 6 0 peak 4503 weight  0.1000E+01 volume 14.29300 ppm1 7.026 ppm2 6.050
ASSI {  4513}
  (( segid "PROT" and resid 105  and name HD1#  ))
  (( segid "PROT" and resid 85  and name HZ  ))
     6 6 0 peak 4513 weight  0.1000E+01 volume 12.32480 ppm1 0.373 ppm2 6.037
ASSI {  4523}
  (( segid "PROT" and resid 105  and name HD2#  ))
  (( segid "PROT" and resid 85  and name HZ  ))
     6 6 0 peak 4523 weight  0.1000E+01 volume 8.00580 ppm1 0.560 ppm2 6.042
ASSI {  4533}
  (( segid "PROT" and resid 25  and name HD1#  ))
  (( segid "PROT" and resid 85  and name HZ  ))
     6 6 0 peak 4533 weight  0.1000E+01 volume 11.04100 ppm1 0.665 ppm2 6.032
ASSI {  4543}
  (( segid "PROT" and resid 25  and name HD2#  ))
  (( segid "PROT" and resid 85  and name HZ  ))
     6 6 0 peak 4543 weight  0.1000E+01 volume 21.68950 ppm1 0.896 ppm2 6.043
! F3 (1H): 0.05 ppm
! F2 (X): 0.5 ppm
! F1 (1H): 0.05 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 6.909  and attr rmsd >  6.809  ) 
  and bondedto( attr rmsd <  131.102  and attr rmsd > 130.102  )) 
     ( attr rmsd < 6.775  and attr rmsd > 6.675  ) 
  6 6 0  peak  13  volume  84.96270 ppm1  6.859  ppm2  6.725
assi (( attr rmsd < 7.068  and attr rmsd >  6.968  ) 
  and bondedto( attr rmsd <  117.856  and attr rmsd > 116.856  )) 
     ( attr rmsd < 6.762  and attr rmsd > 6.662  ) 
  6 6 0  peak  303  volume  44.21300 ppm1  7.018  ppm2  6.712
assi (( attr rmsd < 7.222  and attr rmsd >  7.122  ) 
  and bondedto( attr rmsd <  129.359  and attr rmsd > 128.359  )) 
     ( attr rmsd < 4.232  and attr rmsd > 4.132  ) 
  6 6 0  peak  1193  volume  6.23360 ppm1  7.172  ppm2  4.182
assi (( attr rmsd < 6.995  and attr rmsd >  6.895  ) 
  and bondedto( attr rmsd <  112.172  and attr rmsd > 111.172  )) 
     ( attr rmsd < 6.648  and attr rmsd > 6.548  ) 
  6 6 0  peak  1693  volume  6.43230 ppm1  6.945  ppm2  6.598
assi (( attr rmsd < 7.069  and attr rmsd >  6.969  ) 
  and bondedto( attr rmsd <  126.528  and attr rmsd > 125.528  )) 
     ( attr rmsd < 1.661  and attr rmsd > 1.561  ) 
  6 6 0  peak  2283  volume  5.77520 ppm1  7.019  ppm2  1.611
assi (( attr rmsd < 6.986  and attr rmsd >  6.886  ) 
  and bondedto( attr rmsd <  130.977  and attr rmsd > 129.977  )) 
     ( attr rmsd < 4.456  and attr rmsd > 4.356  ) 
  6 6 0  peak  2323  volume  5.58130 ppm1  6.936  ppm2  4.406
assi (( attr rmsd < 6.117  and attr rmsd >  6.017  ) 
  and bondedto( attr rmsd <  125.315  and attr rmsd > 124.315  )) 
     ( attr rmsd < 1.148  and attr rmsd > 1.048  ) 
  6 6 0  peak  2603  volume  11.14220 ppm1  6.067  ppm2  1.098
assi (( attr rmsd < 7.655  and attr rmsd >  7.555  ) 
  and bondedto( attr rmsd <  129.763  and attr rmsd > 128.763  )) 
     ( attr rmsd < 7.025  and attr rmsd > 6.925  ) 
  6 6 0  peak  2673  volume  3.57960 ppm1  7.605  ppm2  6.975
assi (( attr rmsd < 5.06  and attr rmsd >  4.96  ) 
  and bondedto( attr rmsd <  121.271  and attr rmsd > 120.271  )) 
     ( attr rmsd < 3.173  and attr rmsd > 3.073  ) 
  6 6 0  peak  2893  volume  4.01160 ppm1  5.010  ppm2  3.123
assi (( attr rmsd < 6.979  and attr rmsd >  6.879  ) 
  and bondedto( attr rmsd <  130.979  and attr rmsd > 129.979  )) 
     ( attr rmsd < 2.055  and attr rmsd > 1.955  ) 
  6 6 0  peak  2983  volume  7.33230 ppm1  6.929  ppm2  2.005
assi (( attr rmsd < 7.399  and attr rmsd >  7.299  ) 
  and bondedto( attr rmsd <  128.755  and attr rmsd > 127.755  )) 
     ( attr rmsd < 1.653  and attr rmsd > 1.553  ) 
  6 6 0  peak  3013  volume  26.35200 ppm1  7.349  ppm2  1.603
assi (( attr rmsd < 7.466  and attr rmsd >  7.366  ) 
  and bondedto( attr rmsd <  129.359  and attr rmsd > 128.359  )) 
     ( attr rmsd < 1.629  and attr rmsd > 1.529  ) 
  6 6 0  peak  3063  volume  34.31660 ppm1  7.416  ppm2  1.579
assi (( attr rmsd < 7.451  and attr rmsd >  7.351  ) 
  and bondedto( attr rmsd <  129.359  and attr rmsd > 128.359  )) 
     ( attr rmsd < 0.652  and attr rmsd > 0.552  ) 
  6 6 0  peak  3083  volume  18.22250 ppm1  7.401  ppm2  0.602
assi (( attr rmsd < 7.516  and attr rmsd >  7.416  ) 
  and bondedto( attr rmsd <  125.52  and attr rmsd > 124.52  )) 
     ( attr rmsd < 1.556  and attr rmsd > 1.456  ) 
  6 6 0  peak  3103  volume  10.00520 ppm1  7.466  ppm2  1.506
assi (( attr rmsd < 7.528  and attr rmsd >  7.428  ) 
  and bondedto( attr rmsd <  112.714  and attr rmsd > 111.714  )) 
     ( attr rmsd < 1.162  and attr rmsd > 1.062  ) 
  6 6 0  peak  3223  volume  2.20870 ppm1  7.478  ppm2  1.112
assi (( attr rmsd < 7.526  and attr rmsd >  7.426  ) 
  and bondedto( attr rmsd <  112.714  and attr rmsd > 111.714  )) 
     ( attr rmsd < 1.45  and attr rmsd > 1.35  ) 
  6 6 0  peak  3233  volume  10.18320 ppm1  7.476  ppm2  1.400
assi (( attr rmsd < 7.52  and attr rmsd >  7.42  ) 
  and bondedto( attr rmsd <  112.714  and attr rmsd > 111.714  )) 
     ( attr rmsd < 1.568  and attr rmsd > 1.468  ) 
  6 6 0  peak  3243  volume  4.11300 ppm1  7.470  ppm2  1.518
assi (( attr rmsd < 7.525  and attr rmsd >  7.425  ) 
  and bondedto( attr rmsd <  112.714  and attr rmsd > 111.714  )) 
     ( attr rmsd < 1.516  and attr rmsd > 1.416  ) 
  6 6 0  peak  3253  volume  2.51540 ppm1  7.475  ppm2  1.466
assi (( attr rmsd < 6.66  and attr rmsd >  6.56  ) 
  and bondedto( attr rmsd <  115.949  and attr rmsd > 114.949  )) 
     ( attr rmsd < 7.503  and attr rmsd > 7.403  ) 
  6 6 0  peak  3283  volume  7.39090 ppm1  6.610  ppm2  7.453
assi (( attr rmsd < 6.743  and attr rmsd >  6.643  ) 
  and bondedto( attr rmsd <  115.949  and attr rmsd > 114.949  )) 
     ( attr rmsd < 7.671  and attr rmsd > 7.571  ) 
  6 6 0  peak  3383  volume  3.76280 ppm1  6.693  ppm2  7.621
assi (( attr rmsd < 6.775  and attr rmsd >  6.675  ) 
  and bondedto( attr rmsd <  116.353  and attr rmsd > 115.353  )) 
     ( attr rmsd < 6.901  and attr rmsd > 6.801  ) 
  6 6 0  peak  3393  volume  23.32010 ppm1  6.725  ppm2  6.851
assi (( attr rmsd < 7.221  and attr rmsd >  7.121  ) 
  and bondedto( attr rmsd <  120.802  and attr rmsd > 119.802  )) 
     ( attr rmsd < 1.415  and attr rmsd > 1.315  ) 
  6 6 0  peak  3483  volume  2.82400 ppm1  7.171  ppm2  1.365
assi (( attr rmsd < 7.298  and attr rmsd >  7.198  ) 
  and bondedto( attr rmsd <  123.026  and attr rmsd > 122.026  )) 
     ( attr rmsd < 1.448  and attr rmsd > 1.348  ) 
  6 6 0  peak  3563  volume  7.70640 ppm1  7.248  ppm2  1.398
assi (( attr rmsd < 7.13  and attr rmsd >  7.03  ) 
  and bondedto( attr rmsd <  127.879  and attr rmsd > 126.879  )) 
     ( attr rmsd < 2.043  and attr rmsd > 1.943  ) 
  6 6 0  peak  3753  volume  11.56740 ppm1  7.080  ppm2  1.993
assi (( attr rmsd < 7.398  and attr rmsd >  7.298  ) 
  and bondedto( attr rmsd <  128.687  and attr rmsd > 127.687  )) 
     ( attr rmsd < 2.732  and attr rmsd > 2.632  ) 
  6 6 0  peak  3863  volume  13.05180 ppm1  7.348  ppm2  2.682
assi (( attr rmsd < 7.353  and attr rmsd >  7.253  ) 
  and bondedto( attr rmsd <  129.294  and attr rmsd > 128.294  )) 
     ( attr rmsd < 2.052  and attr rmsd > 1.952  ) 
  6 6 0  peak  3893  volume  13.13840 ppm1  7.303  ppm2  2.002
assi (( attr rmsd < 7.355  and attr rmsd >  7.255  ) 
  and bondedto( attr rmsd <  129.294  and attr rmsd > 128.294  )) 
     ( attr rmsd < 1.971  and attr rmsd > 1.871  ) 
  6 6 0  peak  3903  volume  10.34060 ppm1  7.305  ppm2  1.921
assi (( attr rmsd < 7.445  and attr rmsd >  7.345  ) 
  and bondedto( attr rmsd <  129.761  and attr rmsd > 128.761  )) 
     ( attr rmsd < 2.79  and attr rmsd > 2.69  ) 
  6 6 0  peak  4043  volume  6.41920 ppm1  7.395  ppm2  2.740
assi (( attr rmsd < 7.366  and attr rmsd >  7.266  ) 
  and bondedto( attr rmsd <  130.103  and attr rmsd > 129.103  )) 
     ( attr rmsd < 2.801  and attr rmsd > 2.701  ) 
  6 6 0  peak  4173  volume  8.94300 ppm1  7.316  ppm2  2.751
assi (( attr rmsd < 6.977  and attr rmsd >  6.877  ) 
  and bondedto( attr rmsd <  130.912  and attr rmsd > 129.912  )) 
     ( attr rmsd < 1.419  and attr rmsd > 1.319  ) 
  6 6 0  peak  4243  volume  3.86440 ppm1  6.927  ppm2  1.369
assi (( attr rmsd < 6.973  and attr rmsd >  6.873  ) 
  and bondedto( attr rmsd <  130.912  and attr rmsd > 129.912  )) 
     ( attr rmsd < 3.619  and attr rmsd > 3.519  ) 
  6 6 0  peak  4263  volume  6.74920 ppm1  6.923  ppm2  3.569
assi (( attr rmsd < 7.443  and attr rmsd >  7.343  ) 
  and bondedto( attr rmsd <  130.912  and attr rmsd > 129.912  )) 
     ( attr rmsd < 6.089  and attr rmsd > 5.989  ) 
  6 6 0  peak  4293  volume  3.54020 ppm1  7.393  ppm2  6.039
assi (( attr rmsd < 6.754  and attr rmsd >  6.654  ) 
  and bondedto( attr rmsd <  131.518  and attr rmsd > 130.518  )) 
     ( attr rmsd < 0.653  and attr rmsd > 0.553  ) 
  6 6 0  peak  4303  volume  4.84080 ppm1  6.704  ppm2  0.603
assi (( attr rmsd < 6.751  and attr rmsd >  6.651  ) 
  and bondedto( attr rmsd <  131.518  and attr rmsd > 130.518  )) 
     ( attr rmsd < 6.969  and attr rmsd > 6.869  ) 
  6 6 0  peak  4343  volume  9.61660 ppm1  6.701  ppm2  6.919
assi (( attr rmsd < 7.369  and attr rmsd >  7.269  ) 
  and bondedto( attr rmsd <  130.305  and attr rmsd > 129.305  )) 
     ( attr rmsd < 7.138  and attr rmsd > 7.038  ) 
  6 6 0  peak  4373  volume  11.56470 ppm1  7.319  ppm2  7.088
assi (( attr rmsd < 7.426  and attr rmsd >  7.326  ) 
  and bondedto( attr rmsd <  127.879  and attr rmsd > 126.879  )) 
     ( attr rmsd < 5.131  and attr rmsd > 5.031  ) 
  6 6 0  peak  4393  volume  5.01480 ppm1  7.376  ppm2  5.081
assi (( attr rmsd < 7.437  and attr rmsd >  7.337  ) 
  and bondedto( attr rmsd <  127.879  and attr rmsd > 126.879  )) 
     ( attr rmsd < 5.431  and attr rmsd > 5.331  ) 
  6 6 0  peak  4493  volume  1.60590 ppm1  7.387  ppm2  5.381
assi (( attr rmsd < 6.997  and attr rmsd >  6.897  ) 
  and bondedto( attr rmsd <  130.912  and attr rmsd > 129.912  )) 
     ( attr rmsd < 7.53  and attr rmsd > 7.43  ) 
  6 6 0  peak  4553  volume  3.38020 ppm1  6.947  ppm2  7.480
!
!
!The last digit in peak ID is the spectrum number

ASSI {    04}
  (( segid "PROT" and resid 44  and name HA  ))
  (( segid "LIGA" and resid 201  and name HZ2  ))
     6 6 0 peak 04 weight  0.1000E+01 volume 45.36660 ppm1 4.187 ppm2 7.687
ASSI {    14}
  (( segid "PROT" and resid 44  and name HA  ))
  (( segid "LIGA" and resid 201  and name HH2  ))
     6 6 0 peak 14 weight  0.1000E+01 volume 13.55940 ppm1 4.164 ppm2 7.208
ASSI {    24}
  (( segid "PROT" and resid 44  and name HB2  ))
  (( segid "LIGA" and resid 201  and name HZ2  ))
     6 6 0 peak 24 weight  0.1000E+01 volume 48.90320 ppm1 1.381 ppm2 7.687
ASSI {    34}
  (( segid "PROT" and resid 44  and name HG  ))
  (( segid "LIGA" and resid 201  and name HZ2  ))
     6 6 0 peak 34 weight  0.1000E+01 volume 49.56870 ppm1 1.694 ppm2 7.687
ASSI {    44}
  (( segid "PROT" and resid 44  and name HG  ))
  (( segid "LIGA" and resid 201  and name HH2  ))
     6 6 0 peak 44 weight  0.1000E+01 volume 13.55530 ppm1 1.668 ppm2 7.210
ASSI {    64}
  (( segid "PROT" and resid 44  and name HD1#  ))
  (( segid "LIGA" and resid 201  and name HZ2  ))
     6 6 0 peak 64 weight  0.1000E+01 volume 256.38599 ppm1 0.745 ppm2 7.687
ASSI {    74}
  (( segid "PROT" and resid 44  and name HD1#  ))
  (( segid "LIGA" and resid 201  and name HZ3  ))
     6 6 0 peak 74 weight  0.1000E+01 volume 14.27240 ppm1 0.744 ppm2 7.489
ASSI {    84}
  (( segid "PROT" and resid 44  and name HD1#  ))
  (( segid "LIGA" and resid 201  and name HH2  ))
     6 6 0 peak 84 weight  0.1000E+01 volume 89.31960 ppm1 0.742 ppm2 7.209
ASSI {   104}
  (( segid "PROT" and resid 43  and name HD1#  ))
  (( segid "LIGA" and resid 201  and name HZ2  ))
     6 6 0 peak 104 weight  0.1000E+01 volume 28.89790 ppm1 0.873 ppm2 7.685
ASSI {   124}
  (( segid "PROT" and resid 44  and name HD2#  ))
  (( segid "LIGA" and resid 201  and name HZ2  ))
     6 6 0 peak 124 weight  0.1000E+01 volume 311.09491 ppm1 0.833 ppm2 7.686
ASSI {   134}
  (( segid "PROT" and resid 44  and name HD2#  ))
  (( segid "LIGA" and resid 201  and name HZ3  ))
     6 6 0 peak 134 weight  0.1000E+01 volume 75.67030 ppm1 0.824 ppm2 7.487
ASSI {   144}
  (( segid "PROT" and resid 44  and name HD2#  ))
  (( segid "LIGA" and resid 201  and name HH2  ))
     6 6 0 peak 144 weight  0.1000E+01 volume 149.05130 ppm1 0.835 ppm2 7.208
ASSI {   154}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "LIGA" and resid 201  and name HZ2  ))
     6 6 0 peak 154 weight  0.1000E+01 volume 50.91520 ppm1 -0.380 ppm2 7.684
ASSI {   164}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "LIGA" and resid 201  and name HH2  ))
     6 6 0 peak 164 weight  0.1000E+01 volume 12.47750 ppm1 -0.370 ppm2 7.217
ASSI {   174}
  (( segid "PROT" and resid 46  and name HG2#  ))
  (( segid "LIGA" and resid 201  and name HE3  ))
     6 6 0 peak 174 weight  0.1000E+01 volume 61.21580 ppm1 0.679 ppm2 7.629
ASSI {   184}
  (( segid "PROT" and resid 46  and name HG2#  ))
  (( segid "LIGA" and resid 201  and name HZ3  ))
     6 6 0 peak 184 weight  0.1000E+01 volume 55.27830 ppm1 0.688 ppm2 7.485
ASSI {   194}
  (( segid "PROT" and resid 46  and name HG2#  ))
  (( segid "LIGA" and resid 201  and name HH2  ))
     6 6 0 peak 194 weight  0.1000E+01 volume 22.43440 ppm1 0.679 ppm2 7.206
ASSI {   214}
  (( segid "PROT" and resid 44  and name HD1#  ))
  (( segid "LIGA" and resid 201  and name HB1  ))
     6 6 0 peak 214 weight  0.1000E+01 volume 108.39830 ppm1 0.745 ppm2 2.940
ASSI {   224}
  (( segid "PROT" and resid 44  and name HD1#  ))
  (( segid "LIGA" and resid 201  and name HM1  ))
     6 6 0 peak 224 weight  0.1000E+01 volume 93.21480 ppm1 0.749 ppm2 2.761
ASSI {   234}
  (( segid "PROT" and resid 44  and name HD1#  ))
  (( segid "LIGA" and resid 201  and name HN#  ))
     6 6 0 peak 234 weight  0.1000E+01 volume 22.33730 ppm1 0.746 ppm2 2.507
ASSI {   244}
  (( segid "PROT" and resid 39  and name HG1#  ))
  (( segid "LIGA" and resid 201  and name HB1  ))
     6 6 0 peak 244 weight  0.1000E+01 volume 168.25160 ppm1 0.741 ppm2 2.938
ASSI {   254}
  (( segid "PROT" and resid 39  and name HG1#  ))
  (( segid "LIGA" and resid 201  and name HM1  ))
     6 6 0 peak 254 weight  0.1000E+01 volume 164.72591 ppm1 0.741 ppm2 2.762
ASSI {   264}
  (( segid "PROT" and resid 39  and name HG1#  ))
  (( segid "LIGA" and resid 201  and name HN#  ))
     6 6 0 peak 264 weight  0.1000E+01 volume 318.62280 ppm1 0.732 ppm2 2.499
ASSI {   274}
  (( segid "PROT" and resid 39  and name HG1#  ))
  (( segid "LIGA" and resid 201  and name HA1  ))
     6 6 0 peak 274 weight  0.1000E+01 volume 160.07770 ppm1 0.735 ppm2 2.018
ASSI {   284}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "LIGA" and resid 201  and name HB1  ))
     6 6 0 peak 284 weight  0.1000E+01 volume 22.04390 ppm1 -0.376 ppm2 2.939
ASSI {   294}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "LIGA" and resid 201  and name HM1  ))
     6 6 0 peak 294 weight  0.1000E+01 volume 21.91780 ppm1 -0.386 ppm2 2.766
ASSI {   304}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "LIGA" and resid 201  and name HN#  ))
     6 6 0 peak 304 weight  0.1000E+01 volume 77.55570 ppm1 -0.369 ppm2 2.496
ASSI {   314}
  (( segid "PROT" and resid 88  and name HB#  ))
  (( segid "LIGA" and resid 201  and name HN#  ))
     6 6 0 peak 314 weight  0.1000E+01 volume 63.02200 ppm1 1.738 ppm2 2.498
ASSI {   324}
  (( segid "PROT" and resid 39  and name HG2#  ))
  (( segid "LIGA" and resid 201  and name HA1  ))
     6 6 0 peak 324 weight  0.1000E+01 volume 12.43050 ppm1 -0.374 ppm2 2.020
ASSI {   344}
  (( segid "PROT" and resid 44  and name HD1#  ))
  (( segid "LIGA" and resid 201  and name HA1  ))
     6 6 0 peak 344 weight  0.1000E+01 volume 5.30340 ppm1 0.723 ppm2 2.032
ASSI {   354}
  (( segid "PROT" and resid 44  and name HG  ))
  (( segid "LIGA" and resid 201  and name HZ3  ))
     6 6 0 peak 354 weight  0.1000E+01 volume 12.84050 ppm1 1.695 ppm2 7.486
ASSI {   364}
  (( segid "PROT" and resid 44  and name HB2  ))
  (( segid "LIGA" and resid 201  and name HH2  ))
     6 6 0 peak 364 weight  0.1000E+01 volume 2.77150 ppm1 1.375 ppm2 7.207
ASSI {   384}
  (( segid "PROT" and resid 39  and name HA  ))
  (( segid "LIGA" and resid 201  and name HN#  ))
     6 6 0 peak 384 weight  0.1000E+01 volume 10.57500 ppm1 3.226 ppm2 2.492
ASSI {   394}
  (( segid "PROT" and resid 43  and name HD1#  ))
  (( segid "LIGA" and resid 201  and name HH2  ))
     6 6 0 peak 394 weight  0.1000E+01 volume 8.47860 ppm1 0.891 ppm2 7.206
ASSI {   414}
  (( segid "PROT" and resid 34  and name HB1  ))
  (( segid "LIGA" and resid 201  and name HB1  ))
     6 6 0 peak 414 weight  0.1000E+01 volume 7.72190 ppm1 2.108 ppm2 2.931
ASSI {   424}
  (( segid "PROT" and resid 34  and name HB2  ))
  (( segid "LIGA" and resid 201  and name HB1  ))
     6 6 0 peak 424 weight  0.1000E+01 volume 4.13030 ppm1 0.594 ppm2 2.915
ASSI {   444}
  (( segid "PROT" and resid 34  and name HA  ))
  (( segid "LIGA" and resid 201  and name HZ2  ))
     6 6 0 peak 444 weight  0.1000E+01 volume 4.93780 ppm1 4.353 ppm2 7.688
ASSI {   454}
  (( segid "PROT" and resid 34  and name HA  ))
  (( segid "LIGA" and resid 201  and name HB1  ))
     6 6 0 peak 454 weight  0.1000E+01 volume 5.60660 ppm1 4.359 ppm2 2.924
ASSI {   464}
  (( segid "PROT" and resid 44  and name HD2#  ))
  (( segid "LIGA" and resid 201  and name HB1  ))
     6 6 0 peak 464 weight  0.1000E+01 volume 20.37760 ppm1 0.827 ppm2 2.937
ASSI {   474}
  (( segid "PROT" and resid 44  and name HD2#  ))
  (( segid "LIGA" and resid 201  and name HM1  ))
     6 6 0 peak 474 weight  0.1000E+01 volume 19.93690 ppm1 0.845 ppm2 2.763
ASSI {   504}
  (( segid "PROT" and resid 39  and name HG1#  ))
  (( segid "LIGA" and resid 201  and name HE3  ))
     6 6 0 peak 504 weight  0.1000E+01 volume 13.93860 ppm1 0.741 ppm2 7.629
! F3 (1H): 0.05 ppm
! F2 (X): 0.5 ppm
! F1 (1H): 0.05 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 1.141  and attr rmsd >  1.041  ) 
  and bondedto( attr rmsd <  27.188  and attr rmsd > 26.188  )) 
     ( attr rmsd < 7.585  and attr rmsd > 7.485  ) 
  6 6 0  peak  54  volume  27.09200 ppm1  1.091  ppm2  7.535
assi (( attr rmsd < 1.124  and attr rmsd >  1.024  ) 
  and bondedto( attr rmsd <  27.025  and attr rmsd > 26.025  )) 
     ( attr rmsd < 7.253  and attr rmsd > 7.153  ) 
  6 6 0  peak  94  volume  14.56050 ppm1  1.074  ppm2  7.203
assi (( attr rmsd < 1.136  and attr rmsd >  1.036  ) 
  and bondedto( attr rmsd <  24.755  and attr rmsd > 23.755  )) 
     ( attr rmsd < 7.577  and attr rmsd > 7.477  ) 
  6 6 0  peak  114  volume  11.77660 ppm1  1.086  ppm2  7.527
assi (( attr rmsd < 4.327  and attr rmsd >  4.227  ) 
  and bondedto( attr rmsd <  56.762  and attr rmsd > 55.762  )) 
     ( attr rmsd < 2.52  and attr rmsd > 2.42  ) 
  6 6 0  peak  204  volume  30.49670 ppm1  4.277  ppm2  2.470
assi (( attr rmsd < -0.297  and attr rmsd >  -0.397  ) 
  and bondedto( attr rmsd <  20.872  and attr rmsd > 19.872  )) 
     ( attr rmsd < 7.429  and attr rmsd > 7.329  ) 
  6 6 0  peak  334  volume  3.99710 ppm1  -0.347  ppm2  7.379
assi (( attr rmsd < 1.114  and attr rmsd >  1.014  ) 
  and bondedto( attr rmsd <  27.382  and attr rmsd > 26.382  )) 
     ( attr rmsd < 2.568  and attr rmsd > 2.468  ) 
  6 6 0  peak  374  volume  6.25610 ppm1  1.064  ppm2  2.518
assi (( attr rmsd < 2.152  and attr rmsd >  2.052  ) 
  and bondedto( attr rmsd <  31.39  and attr rmsd > 30.39  )) 
     ( attr rmsd < 2.832  and attr rmsd > 2.732  ) 
  6 6 0  peak  404  volume  8.66450 ppm1  2.102  ppm2  2.782
assi (( attr rmsd < 0.615  and attr rmsd >  0.515  ) 
  and bondedto( attr rmsd <  31.39  and attr rmsd > 30.39  )) 
     ( attr rmsd < 2.81  and attr rmsd > 2.71  ) 
  6 6 0  peak  434  volume  5.52080 ppm1  0.565  ppm2  2.760
assi (( attr rmsd < 0.635  and attr rmsd >  0.535  ) 
  and bondedto( attr rmsd <  31.39  and attr rmsd > 30.39  )) 
     ( attr rmsd < 2.542  and attr rmsd > 2.442  ) 
  6 6 0  peak  484  volume  2.45480 ppm1  0.585  ppm2  2.492
assi (( attr rmsd < 0.636  and attr rmsd >  0.536  ) 
  and bondedto( attr rmsd <  31.39  and attr rmsd > 30.39  )) 
     ( attr rmsd < 2.092  and attr rmsd > 1.992  ) 
  6 6 0  peak  494  volume  3.20750 ppm1  0.586  ppm2  2.042
!
!
!The last digit in peak ID is the spectrum number

ASSI {    05}
  (( segid "PROT" and resid 26  and name HD1  ))
  (( segid "LIGA" and resid 201  and name HN#  ))
     6 6 0 peak 05 weight  0.1000E+01 volume 18.67810 ppm1 6.901 ppm2 2.510
ASSI {    15}
  (( segid "PROT" and resid 35  and name HD1  ))
  (( segid "LIGA" and resid 201  and name HN#  ))
     6 6 0 peak 15 weight  0.1000E+01 volume 8.73250 ppm1 7.390 ppm2 2.512
ASSI {    25}
  (( segid "PROT" and resid 35  and name HE1  ))
  (( segid "LIGA" and resid 201  and name HN#  ))
     6 6 0 peak 25 weight  0.1000E+01 volume 45.90880 ppm1 7.346 ppm2 2.502
ASSI {    45}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "LIGA" and resid 201  and name HE3  ))
     6 6 0 peak 45 weight  0.1000E+01 volume 51.22220 ppm1 6.679 ppm2 7.627
ASSI {    55}
  (( segid "PROT" and resid 91  and name HE1  ))
  (( segid "LIGA" and resid 201  and name HZ3  ))
     6 6 0 peak 55 weight  0.1000E+01 volume 19.20700 ppm1 6.652 ppm2 7.486
ASSI {    65}
  (( segid "PROT" and resid 91  and name HD1  ))
  (( segid "LIGA" and resid 201  and name HE3  ))
     6 6 0 peak 65 weight  0.1000E+01 volume 12.16250 ppm1 6.896 ppm2 7.624
ASSI {    75}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "LIGA" and resid 201  and name HN#  ))
     6 6 0 peak 75 weight  0.1000E+01 volume 3.89940 ppm1 6.574 ppm2 2.518
ASSI {    85}
  (( segid "PROT" and resid 26  and name HE1  ))
  (( segid "LIGA" and resid 201  and name HB1  ))
     6 6 0 peak 85 weight  0.1000E+01 volume 3.86450 ppm1 6.553 ppm2 2.928
! F3 (1H): 0.05 ppm
! F2 (X): 0.5 ppm
! F1 (1H): 0.05 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 6.171  and attr rmsd >  6.071  ) 
  and bondedto( attr rmsd <  114.769  and attr rmsd > 113.769  )) 
     ( attr rmsd < 2.546  and attr rmsd > 2.446  ) 
  6 6 0  peak  35  volume  18.33210 ppm1  6.121  ppm2  2.496

  Entry H atom name         Submitted Coord H atom name
    1   1H    GLY1077           HT1      GLY1077  19.919 -30.150  -4.091
    2   2H    GLY1077           HT2      GLY1077  18.613 -30.256  -3.010
    3   3H    GLY1077           HT3      GLY1077  19.736 -28.991  -2.863
    4   1HA   GLY1077          HA2       GLY1077  18.820 -27.769  -4.496
    5   2HA   GLY1077          HA1       GLY1077  18.406 -29.202  -5.437
    6    H    SER1078           HN       SER1078  17.473 -27.407  -2.499
    7    HA   SER1078           HA       SER1078  14.924 -28.794  -2.235
    8   1HB   SER1078          HB1       SER1078  16.599 -27.024  -0.774
    9   2HB   SER1078          HB2       SER1078  15.053 -26.196  -0.964
   10    HG   SER1078           HG       SER1078  14.725 -27.431   0.770
   11    H    HIS1079           HN       HIS1079  13.830 -28.503  -4.266
   12    HA   HIS1079           HA       HIS1079  13.340 -25.737  -5.215
   13   1HB   HIS1079          HB1       HIS1079  13.943 -27.819  -6.623
   14   2HB   HIS1079          HB2       HIS1079  12.286 -28.349  -6.332
   15    HD1  HIS1079           HD1      HIS1079  11.620 -28.022  -8.829
   16    HD2  HIS1079           HD2      HIS1079  12.946 -24.534  -6.970
   17    HE1  HIS1079           HE1      HIS1079  11.009 -26.110 -10.374
   18    H    MET1080           HN       MET1080  11.713 -24.710  -4.092
   19    HA   MET1080           HA       MET1080   9.501 -26.130  -2.845
   20   1HB   MET1080          HB2       MET1080  10.267 -23.252  -3.383
   21   2HB   MET1080          HB1       MET1080   8.736 -23.658  -2.608
   22   1HG   MET1080          HG2       MET1080  10.514 -25.206  -1.193
   23   2HG   MET1080          HG1       MET1080  11.474 -23.765  -1.526
   24   1HE   MET1080          HE1       MET1080  11.436 -21.961   0.596
   25   2HE   MET1080          HE2       MET1080  10.058 -20.939   0.187
   26   3HE   MET1080          HE3       MET1080  11.057 -21.628  -1.094
   27    H    ARG1081           HN       ARG1081   7.342 -26.232  -3.577
   28    HA   ARG1081           HA       ARG1081   6.956 -25.648  -6.480
   29   1HB   ARG1081          HB1       ARG1081   6.044 -27.644  -4.489
   30   2HB   ARG1081          HB2       ARG1081   4.804 -27.121  -5.627
   31   1HG   ARG1081          HG2       ARG1081   5.911 -29.006  -6.614
   32   2HG   ARG1081          HG1       ARG1081   6.438 -27.566  -7.478
   33   1HD   ARG1081          HD2       ARG1081   8.482 -28.667  -7.068
   34   2HD   ARG1081          HD1       ARG1081   8.377 -27.558  -5.688
   35    HE   ARG1081           HE       ARG1081   6.991 -29.780  -4.815
   36   1HH1  ARG1081          HH21      ARG1081  10.145 -29.286  -6.205
   37   2HH1  ARG1081          HH22      ARG1081  10.840 -30.637  -5.379
   38   1HH2  ARG1081          HH11      ARG1081   7.916 -31.527  -3.755
   39   2HH2  ARG1081          HH12      ARG1081   9.590 -31.898  -4.001
   40    H    LYS1082           HN       LYS1082   4.793 -24.772  -7.103
   41    HA   LYS1082           HA       LYS1082   4.092 -22.383  -5.747
   42   1HB   LYS1082          HB2       LYS1082   3.471 -23.718  -8.100
   43   2HB   LYS1082          HB1       LYS1082   1.931 -23.715  -7.240
   44   1HG   LYS1082          HG2       LYS1082   2.474 -21.195  -6.798
   45   2HG   LYS1082          HG1       LYS1082   3.594 -21.376  -8.148
   46   1HD   LYS1082          HD2       LYS1082   0.816 -22.422  -8.495
   47   2HD   LYS1082          HD1       LYS1082   1.046 -20.675  -8.540
   48   1HE   LYS1082          HE1       LYS1082   2.116 -20.760 -10.561
   49   2HE   LYS1082          HE2       LYS1082   3.027 -22.215 -10.115
   50   1HZ   LYS1082          HZ1       LYS1082   0.100 -22.244 -10.605
   51   2HZ   LYS1082          HZ2       LYS1082   1.156 -23.571 -10.512
   52   3HZ   LYS1082          HZ3       LYS1082   1.224 -22.524 -11.847
   53    H    LYS1083           HN       LYS1083   3.758 -22.862  -3.490
   54    HA   LYS1083           HA       LYS1083   1.589 -24.750  -2.771
   55   1HB   LYS1083          HB2       LYS1083   3.827 -24.611  -1.607
   56   2HB   LYS1083          HB1       LYS1083   3.381 -22.997  -1.054
   57   1HG   LYS1083          HG1       LYS1083   1.309 -25.015  -0.542
   58   2HG   LYS1083          HG2       LYS1083   2.827 -25.346   0.292
   59   1HD   LYS1083          HD1       LYS1083   2.784 -23.269   1.430
   60   2HD   LYS1083          HD2       LYS1083   1.579 -22.597   0.333
   61   1HE   LYS1083          HE1       LYS1083  -0.159 -23.541   1.486
   62   2HE   LYS1083          HE2       LYS1083   0.726 -25.053   1.760
   63   1HZ   LYS1083          HZ1       LYS1083   0.359 -23.534   3.765
   64   2HZ   LYS1083          HZ2       LYS1083   1.526 -22.518   3.065
   65   3HZ   LYS1083          HZ3       LYS1083   1.937 -24.106   3.506
   66    H    ILE1084           HN       ILE1084   2.418 -21.410  -1.767
   67    HA   ILE1084           HA       ILE1084   1.033 -19.594  -1.191
   68    HB   ILE1084           HB       ILE1084  -0.463 -21.035  -3.394
   69   1HG1  ILE1084          HG12      ILE1084   1.772 -20.163  -3.956
   70   2HG1  ILE1084          HG11      ILE1084   0.513 -19.258  -4.795
   71   1HG2  ILE1084          HG21      ILE1084  -2.121 -19.677  -2.312
   72   2HG2  ILE1084          HG22      ILE1084  -1.577 -18.759  -3.717
   73   3HG2  ILE1084          HG23      ILE1084  -0.983 -18.345  -2.108
   74   1HD1  ILE1084          HD11      ILE1084   2.080 -18.427  -2.345
   75   2HD1  ILE1084          HD12      ILE1084   0.599 -17.608  -2.840
   76   3HD1  ILE1084          HD13      ILE1084   2.002 -17.615  -3.908
   77    H    PHE1085           HN       PHE1085  -1.257 -19.072  -0.320
   78    HA   PHE1085           HA       PHE1085  -2.249 -21.448   1.211
   79   1HB   PHE1085          HB1       PHE1085  -2.412 -18.481   1.864
   80   2HB   PHE1085          HB2       PHE1085  -2.824 -19.818   2.935
   81    HD1  PHE1085           HD1      PHE1085  -1.189 -20.825   4.286
   82    HD2  PHE1085           HD2      PHE1085  -0.014 -18.287   1.030
   83    HE1  PHE1085           HE1      PHE1085   1.155 -20.899   5.075
   84    HE2  PHE1085           HE2      PHE1085   2.332 -18.360   1.818
   85    HZ   PHE1085           HZ       PHE1085   2.922 -19.666   3.841
   86    H    LYS1086           HN       LYS1086  -3.675 -18.241   0.546
   87    HA   LYS1086           HA       LYS1086  -5.652 -18.913  -1.332
   88   1HB   LYS1086          HB2       LYS1086  -6.055 -20.031   1.344
   89   2HB   LYS1086          HB1       LYS1086  -7.396 -18.986   0.877
   90   1HG   LYS1086          HG1       LYS1086  -8.095 -20.408  -0.760
   91   2HG   LYS1086          HG2       LYS1086  -6.448 -20.808  -1.247
   92   1HD   LYS1086          HD1       LYS1086  -6.205 -22.363   0.574
   93   2HD   LYS1086          HD2       LYS1086  -7.716 -21.825   1.308
   94   1HE   LYS1086          HE2       LYS1086  -8.507 -23.702   0.195
   95   2HE   LYS1086          HE1       LYS1086  -8.651 -22.531  -1.130
   96   1HZ   LYS1086          HZ1       LYS1086  -7.347 -24.589  -1.679
   97   2HZ   LYS1086          HZ2       LYS1086  -6.173 -24.073  -0.566
   98   3HZ   LYS1086          HZ3       LYS1086  -6.514 -23.132  -1.938
   99    HA   PRO1087           HA       PRO1087  -6.727 -14.694  -0.678
  100   1HB   PRO1087          HB1       PRO1087  -9.506 -14.688  -0.495
  101   2HB   PRO1087          HB2       PRO1087  -8.602 -14.742  -2.018
  102   1HG   PRO1087          HG2       PRO1087  -9.943 -16.927  -0.522
  103   2HG   PRO1087          HG1       PRO1087  -9.755 -16.700  -2.266
  104   1HD   PRO1087          HD2       PRO1087  -8.283 -18.470  -0.811
  105   2HD   PRO1087          HD1       PRO1087  -7.695 -17.701  -2.299
  106    H    GLU1088           HN       GLU1088  -8.362 -16.988   1.466
  107    HA   GLU1088           HA       GLU1088  -8.964 -15.066   3.554
  108   1HB   GLU1088          HB1       GLU1088  -8.812 -18.082   3.315
  109   2HB   GLU1088          HB2       GLU1088  -9.250 -17.296   4.832
  110   1HG   GLU1088          HG1       GLU1088 -11.016 -16.018   3.470
  111   2HG   GLU1088          HG2       GLU1088 -10.705 -17.185   2.184
  112    H    GLU1089           HN       GLU1089  -6.353 -17.471   3.063
  113    HA   GLU1089           HA       GLU1089  -5.021 -16.941   5.572
  114   1HB   GLU1089          HB2       GLU1089  -3.947 -17.982   2.927
  115   2HB   GLU1089          HB1       GLU1089  -3.194 -18.204   4.499
  116   1HG   GLU1089          HG1       GLU1089  -5.921 -19.253   3.673
  117   2HG   GLU1089          HG2       GLU1089  -4.462 -20.219   3.880
  118    H    LEU1090           HN       LEU1090  -4.409 -15.815   2.228
  119    HA   LEU1090           HA       LEU1090  -2.237 -14.089   2.699
  120   1HB   LEU1090          HB2       LEU1090  -4.653 -13.887   0.869
  121   2HB   LEU1090          HB1       LEU1090  -3.228 -12.860   0.710
  122    HG   LEU1090           HG       LEU1090  -3.081 -15.883   0.727
  123   1HD1  LEU1090          HD11      LEU1090  -2.633 -14.541  -1.834
  124   2HD1  LEU1090          HD12      LEU1090  -4.286 -14.354  -1.250
  125   3HD1  LEU1090          HD13      LEU1090  -3.605 -15.967  -1.468
  126   1HD2  LEU1090          HD21      LEU1090  -1.048 -14.379  -0.719
  127   2HD2  LEU1090          HD22      LEU1090  -0.851 -15.575   0.563
  128   3HD2  LEU1090          HD23      LEU1090  -1.141 -13.884   0.971
  129    H    ARG1091           HN       ARG1091  -5.719 -13.536   3.206
  130    HA   ARG1091           HA       ARG1091  -5.489 -10.770   4.013
  131   1HB   ARG1091          HB1       ARG1091  -7.459 -13.009   4.113
  132   2HB   ARG1091          HB2       ARG1091  -7.697 -11.724   5.291
  133   1HG   ARG1091          HG2       ARG1091  -7.873 -10.069   3.568
  134   2HG   ARG1091          HG1       ARG1091  -7.318 -11.201   2.334
  135   1HD   ARG1091          HD2       ARG1091  -9.549 -12.403   3.662
  136   2HD   ARG1091          HD1       ARG1091 -10.001 -10.751   3.224
  137    HE   ARG1091           HE       ARG1091  -8.577 -11.938   1.044
  138   1HH1  ARG1091          HH11      ARG1091 -11.619 -12.134   2.729
  139   2HH1  ARG1091          HH12      ARG1091 -12.479 -12.694   1.337
  140   1HH2  ARG1091          HH22      ARG1091  -9.717 -12.668  -0.745
  141   2HH2  ARG1091          HH21      ARG1091 -11.413 -12.995  -0.616
  142    H    GLN1092           HN       GLN1092  -5.779 -13.815   5.868
  143    HA   GLN1092           HA       GLN1092  -5.693 -12.947   8.479
  144   1HB   GLN1092          HB1       GLN1092  -5.060 -15.301   6.953
  145   2HB   GLN1092          HB2       GLN1092  -3.877 -15.131   8.251
  146   1HG   GLN1092          HG2       GLN1092  -5.553 -16.245   9.394
  147   2HG   GLN1092          HG1       GLN1092  -6.054 -14.580   9.681
  148   1HE2  GLN1092          HE21      GLN1092  -6.450 -16.987   7.004
  149   2HE2  GLN1092          HE22      GLN1092  -8.106 -16.683   6.787
  150    H    ALA1093           HN       ALA1093  -2.990 -12.875   6.199
  151    HA   ALA1093           HA       ALA1093  -1.189 -11.949   8.408
  152   1HB   ALA1093          HB1       ALA1093  -0.044 -12.388   5.741
  153   2HB   ALA1093          HB2       ALA1093  -0.928 -13.794   6.335
  154   3HB   ALA1093          HB3       ALA1093   0.402 -13.124   7.280
  155    H    LEU1094           HN       LEU1094  -2.241 -11.086   5.106
  156    HA   LEU1094           HA       LEU1094  -0.740  -8.651   4.944
  157   1HB   LEU1094          HB2       LEU1094  -3.253  -9.664   3.573
  158   2HB   LEU1094          HB1       LEU1094  -2.353  -8.243   3.042
  159    HG   LEU1094           HG       LEU1094  -1.257 -11.067   3.250
  160   1HD1  LEU1094          HD11      LEU1094  -0.946 -10.328   0.668
  161   2HD1  LEU1094          HD12      LEU1094  -2.407  -9.422   1.059
  162   3HD1  LEU1094          HD13      LEU1094  -2.378 -11.175   1.253
  163   1HD2  LEU1094          HD21      LEU1094   0.031  -8.468   3.164
  164   2HD2  LEU1094          HD22      LEU1094   0.463  -9.437   1.754
  165   3HD2  LEU1094          HD23      LEU1094   0.753 -10.063   3.377
  166    H    MET1095           HN       MET1095  -4.168  -9.236   5.893
  167    HA   MET1095           HA       MET1095  -4.986  -6.546   6.153
  168   1HB   MET1095          HB1       MET1095  -5.762  -9.194   7.148
  169   2HB   MET1095          HB2       MET1095  -6.184  -7.902   8.268
  170   1HG   MET1095          HG2       MET1095  -6.791  -7.646   5.326
  171   2HG   MET1095          HG1       MET1095  -7.889  -8.515   6.398
  172   1HE   MET1095          HE1       MET1095  -9.012  -5.036   5.169
  173   2HE   MET1095          HE2       MET1095  -7.788  -6.126   4.516
  174   3HE   MET1095          HE3       MET1095  -7.310  -4.574   5.202
  175    HA   PRO1096           HA       PRO1096  -3.394  -6.881  10.829
  176   1HB   PRO1096          HB2       PRO1096  -1.069  -8.641  10.193
  177   2HB   PRO1096          HB1       PRO1096  -2.079  -8.599  11.648
  178   1HG   PRO1096          HG2       PRO1096  -2.276 -10.506   9.735
  179   2HG   PRO1096          HG1       PRO1096  -3.622 -10.012  10.767
  180   1HD   PRO1096          HD2       PRO1096  -3.206  -9.546   7.906
  181   2HD   PRO1096          HD1       PRO1096  -4.694  -9.439   8.861
  182    H    THR1097           HN       THR1097  -0.962  -7.414   8.226
  183    HA   THR1097           HA       THR1097   0.872  -5.391   9.045
  184    HB   THR1097           HB       THR1097   0.351  -5.849   6.137
  185    HG1  THR1097           HG1      THR1097   1.283  -7.899   7.858
  186   1HG2  THR1097          HG21      THR1097   2.531  -5.182   7.888
  187   2HG2  THR1097          HG22      THR1097   2.501  -5.187   6.124
  188   3HG2  THR1097          HG23      THR1097   2.933  -6.654   7.002
  189    H    LEU1098           HN       LEU1098  -1.955  -5.234   6.868
  190    HA   LEU1098           HA       LEU1098  -1.795  -2.520   6.087
  191   1HB   LEU1098          HB2       LEU1098  -3.449  -4.597   5.626
  192   2HB   LEU1098          HB1       LEU1098  -4.435  -3.736   6.808
  193    HG   LEU1098           HG       LEU1098  -3.473  -1.749   5.067
  194   1HD1  LEU1098          HD21      LEU1098  -2.835  -3.475   3.453
  195   2HD1  LEU1098          HD22      LEU1098  -4.243  -2.598   2.855
  196   3HD1  LEU1098          HD23      LEU1098  -4.438  -4.201   3.563
  197   1HD2  LEU1098          HD11      LEU1098  -5.822  -2.433   6.225
  198   2HD2  LEU1098          HD12      LEU1098  -6.161  -2.909   4.561
  199   3HD2  LEU1098          HD13      LEU1098  -5.704  -1.245   4.927
  200    H    GLU1099           HN       GLU1099  -3.299  -3.977   8.985
  201    HA   GLU1099           HA       GLU1099  -4.290  -1.556  10.143
  202   1HB   GLU1099          HB2       GLU1099  -4.949  -3.795  10.879
  203   2HB   GLU1099          HB1       GLU1099  -3.285  -4.174  11.325
  204   1HG   GLU1099          HG2       GLU1099  -3.310  -2.549  13.102
  205   2HG   GLU1099          HG1       GLU1099  -4.855  -1.895  12.558
  206    H    ALA1100           HN       ALA1100  -1.117  -3.105  10.159
  207    HA   ALA1100           HA       ALA1100   0.104  -1.485  12.204
  208   1HB   ALA1100          HB1       ALA1100   2.007  -2.247  10.242
  209   2HB   ALA1100          HB2       ALA1100   0.778  -3.511  10.242
  210   3HB   ALA1100          HB3       ALA1100   1.624  -3.105  11.735
  211    H    LEU1101           HN       LEU1101  -0.663  -0.961   8.834
  212    HA   LEU1101           HA       LEU1101   1.057   1.451   8.663
  213   1HB   LEU1101          HB2       LEU1101  -0.816  -0.030   6.785
  214   2HB   LEU1101          HB1       LEU1101   0.034   1.444   6.323
  215    HG   LEU1101           HG       LEU1101   1.439  -1.020   7.384
  216   1HD1  LEU1101          HD11      LEU1101   1.944  -0.551   4.607
  217   2HD1  LEU1101          HD12      LEU1101   0.198  -0.629   4.841
  218   3HD1  LEU1101          HD13      LEU1101   1.218  -1.972   5.357
  219   1HD2  LEU1101          HD21      LEU1101   3.405   0.103   6.303
  220   2HD2  LEU1101          HD22      LEU1101   2.718   1.033   7.634
  221   3HD2  LEU1101          HD23      LEU1101   2.374   1.495   5.966
  222    H    TYR1102           HN       TYR1102  -2.322   0.526   9.037
  223    HA   TYR1102           HA       TYR1102  -3.359   3.225   8.591
  224   1HB   TYR1102          HB1       TYR1102  -4.389   0.810   8.290
  225   2HB   TYR1102          HB2       TYR1102  -4.811   0.991   9.992
  226    HD1  TYR1102           HD1      TYR1102  -5.951   3.279  10.644
  227    HD2  TYR1102           HD2      TYR1102  -5.828   1.669   6.664
  228    HE1  TYR1102           HE1      TYR1102  -7.887   4.694  10.012
  229    HE2  TYR1102           HE2      TYR1102  -7.764   3.083   6.031
  230    HH   TYR1102           HH       TYR1102  -9.378   4.450   6.794
  231    H    ARG1103           HN       ARG1103  -2.241   1.356  11.352
  232    HA   ARG1103           HA       ARG1103  -3.584   2.642  13.480
  233   1HB   ARG1103          HB2       ARG1103  -1.619   1.929  14.789
  234   2HB   ARG1103          HB1       ARG1103  -2.049   0.679  13.623
  235   1HG   ARG1103          HG1       ARG1103  -0.328   1.607  12.066
  236   2HG   ARG1103          HG2       ARG1103   0.146   2.749  13.322
  237   1HD   ARG1103          HD1       ARG1103   0.048   0.065  14.415
  238   2HD   ARG1103          HD2       ARG1103   1.117   0.120  13.001
  239    HE   ARG1103           HE       ARG1103   1.554   2.444  14.633
  240   1HH1  ARG1103          HH21      ARG1103   2.114  -0.991  14.550
  241   2HH1  ARG1103          HH22      ARG1103   3.534  -0.895  15.532
  242   1HH2  ARG1103          HH11      ARG1103   3.402   2.543  15.906
  243   2HH2  ARG1103          HH12      ARG1103   4.259   1.089  16.295
  244    H    GLN1104           HN       GLN1104  -1.082   3.828  11.351
  245    HA   GLN1104           HA       GLN1104  -0.307   6.108  13.007
  246   1HB   GLN1104          HB1       GLN1104  -0.017   5.599  10.020
  247   2HB   GLN1104          HB2       GLN1104   0.943   6.719  10.985
  248   1HG   GLN1104          HG1       GLN1104   0.970   4.033  12.119
  249   2HG   GLN1104          HG2       GLN1104   1.558   4.042  10.458
  250   1HE2  GLN1104          HE21      GLN1104   1.871   6.419  13.166
  251   2HE2  GLN1104          HE22      GLN1104   3.563   6.516  13.073
  252    H    ASP1105           HN       ASP1105  -1.111   8.250  12.798
  253    HA   ASP1105           HA       ASP1105  -3.757   8.437  11.496
  254   1HB   ASP1105          HB2       ASP1105  -2.204   9.863  13.606
  255   2HB   ASP1105          HB1       ASP1105  -3.450  10.783  12.765
  256    HA   PRO1106           HA       PRO1106  -1.827  12.193   9.379
  257   1HB   PRO1106          HB2       PRO1106   0.847  12.760   9.782
  258   2HB   PRO1106          HB1       PRO1106  -0.465  13.457  10.750
  259   1HG   PRO1106          HG2       PRO1106   1.365  11.197  11.375
  260   2HG   PRO1106          HG1       PRO1106   0.722  12.456  12.438
  261   1HD   PRO1106          HD2       PRO1106  -0.240   9.911  12.373
  262   2HD   PRO1106          HD1       PRO1106  -1.228  11.318  12.814
  263    H    GLU1107           HN       GLU1107   0.040   9.276   9.723
  264    HA   GLU1107           HA       GLU1107   1.298   9.599   7.075
  265   1HB   GLU1107          HB2       GLU1107   1.368   7.333   9.095
  266   2HB   GLU1107          HB1       GLU1107   2.471   7.548   7.736
  267   1HG   GLU1107          HG1       GLU1107   3.386   9.558   8.691
  268   2HG   GLU1107          HG2       GLU1107   2.137   9.604   9.935
  269    H    SER1108           HN       SER1108  -1.496   8.035   8.456
  270    HA   SER1108           HA       SER1108  -1.861   6.567   5.864
  271   1HB   SER1108          HB1       SER1108  -1.775   5.681   8.572
  272   2HB   SER1108          HB2       SER1108  -3.441   5.504   8.026
  273    HG   SER1108           HG       SER1108  -1.096   4.340   7.025
  274    H    LEU1109           HN       LEU1109  -2.780   9.322   6.407
  275    HA   LEU1109           HA       LEU1109  -5.706   9.009   6.810
  276   1HB   LEU1109          HB1       LEU1109  -3.665  11.144   6.954
  277   2HB   LEU1109          HB2       LEU1109  -5.235  11.664   6.344
  278    HG   LEU1109           HG       LEU1109  -5.114   9.946   8.799
  279   1HD1  LEU1109          HD11      LEU1109  -3.619  12.239   8.634
  280   2HD1  LEU1109          HD12      LEU1109  -4.298  11.594  10.129
  281   3HD1  LEU1109          HD13      LEU1109  -5.156  12.856   9.244
  282   1HD2  LEU1109          HD21      LEU1109  -6.987  11.994   9.055
  283   2HD2  LEU1109          HD22      LEU1109  -7.330  10.340   8.548
  284   3HD2  LEU1109          HD23      LEU1109  -7.042  11.591   7.339
  285    HA   PRO1110           HA       PRO1110  -5.845  10.880   2.462
  286   1HB   PRO1110          HB2       PRO1110  -3.519  11.546   1.180
  287   2HB   PRO1110          HB1       PRO1110  -4.389  12.681   2.229
  288   1HG   PRO1110          HG1       PRO1110  -1.965  11.048   2.791
  289   2HG   PRO1110          HG2       PRO1110  -2.360  12.695   3.303
  290   1HD   PRO1110          HD1       PRO1110  -2.590  10.478   4.901
  291   2HD   PRO1110          HD2       PRO1110  -3.514  11.975   5.129
  292    H    PHE1111           HN       PHE1111  -3.600   8.531   3.506
  293    HA   PHE1111           HA       PHE1111  -3.115   7.298   0.892
  294   1HB   PHE1111          HB1       PHE1111  -2.633   6.579   3.798
  295   2HB   PHE1111          HB2       PHE1111  -2.183   5.495   2.488
  296    HD1  PHE1111           HD1      PHE1111   0.118   5.855   3.663
  297    HD2  PHE1111           HD2      PHE1111  -1.913   8.920   1.439
  298    HE1  PHE1111           HE1      PHE1111   2.254   7.081   3.396
  299    HE2  PHE1111           HE2      PHE1111   0.225  10.142   1.174
  300    HZ   PHE1111           HZ       PHE1111   2.309   9.223   2.154
  301    H    ARG1112           HN       ARG1112  -5.659   7.171   3.238
  302    HA   ARG1112           HA       ARG1112  -6.521   4.463   2.405
  303   1HB   ARG1112          HB1       ARG1112  -8.043   4.682   4.272
  304   2HB   ARG1112          HB2       ARG1112  -6.500   5.356   4.787
  305   1HG   ARG1112          HG1       ARG1112  -7.668   7.578   3.745
  306   2HG   ARG1112          HG2       ARG1112  -9.095   6.712   4.310
  307   1HD   ARG1112          HD1       ARG1112  -7.939   6.437   6.549
  308   2HD   ARG1112          HD2       ARG1112  -6.681   7.538   5.955
  309    HE   ARG1112           HE       ARG1112  -8.232   9.307   6.174
  310   1HH1  ARG1112          HH22      ARG1112  -9.881   6.244   6.031
  311   2HH1  ARG1112          HH21      ARG1112 -11.437   6.944   6.313
  312   1HH2  ARG1112          HH12      ARG1112 -10.259  10.191   6.536
  313   2HH2  ARG1112          HH11      ARG1112 -11.652   9.163   6.598
  314    H    GLN1113           HN       GLN1113  -7.034   7.657   1.335
  315    HA   GLN1113           HA       GLN1113  -9.574   6.799  -0.002
  316   1HB   GLN1113          HB2       GLN1113 -10.396   9.087   0.362
  317   2HB   GLN1113          HB1       GLN1113  -9.901   8.389   1.904
  318   1HG   GLN1113          HG2       GLN1113  -7.612   9.499   1.461
  319   2HG   GLN1113          HG1       GLN1113  -8.449  10.436   0.224
  320   1HE2  GLN1113          HE21      GLN1113  -8.339   9.781   3.727
  321   2HE2  GLN1113          HE22      GLN1113  -9.197  11.173   4.183
  322    HA   PRO1114           HA       PRO1114  -7.399   7.719  -3.734
  323   1HB   PRO1114          HB1       PRO1114 -10.036   8.619  -4.787
  324   2HB   PRO1114          HB2       PRO1114  -8.950   7.362  -5.406
  325   1HG   PRO1114          HG2       PRO1114 -11.242   6.782  -4.136
  326   2HG   PRO1114          HG1       PRO1114  -9.805   5.758  -4.014
  327   1HD   PRO1114          HD2       PRO1114 -10.962   7.640  -2.026
  328   2HD   PRO1114          HD1       PRO1114 -10.079   6.121  -1.770
  329    H    VAL1115           HN       VAL1115  -7.419   9.678  -5.406
  330    HA   VAL1115           HA       VAL1115  -7.547  12.186  -3.775
  331    HB   VAL1115           HB       VAL1115  -5.913  11.291  -6.178
  332   1HG1  VAL1115          HG21      VAL1115  -6.228  13.991  -4.882
  333   2HG1  VAL1115          HG22      VAL1115  -6.181  13.588  -6.600
  334   3HG1  VAL1115          HG23      VAL1115  -4.701  13.542  -5.640
  335   1HG2  VAL1115          HG11      VAL1115  -4.401  10.656  -4.634
  336   2HG2  VAL1115          HG12      VAL1115  -5.573  11.036  -3.372
  337   3HG2  VAL1115          HG13      VAL1115  -4.427  12.265  -3.911
  338    H    ASP1116           HN       ASP1116  -8.425  10.738  -6.895
  339    HA   ASP1116           HA       ASP1116  -9.906  11.490  -8.575
  340   1HB   ASP1116          HB2       ASP1116 -11.050  12.971  -6.175
  341   2HB   ASP1116          HB1       ASP1116 -11.925  12.526  -7.639
  342    HA   PRO1117           HA       PRO1117  -7.411  15.444  -8.853
  343   1HB   PRO1117          HB2       PRO1117  -7.448  14.451 -11.681
  344   2HB   PRO1117          HB1       PRO1117  -6.107  15.151 -10.753
  345   1HG   PRO1117          HG2       PRO1117  -6.236  12.537 -11.212
  346   2HG   PRO1117          HG1       PRO1117  -5.657  13.165  -9.665
  347   1HD   PRO1117          HD1       PRO1117  -8.270  11.901 -10.338
  348   2HD   PRO1117          HD2       PRO1117  -7.318  11.809  -8.841
  349    H    GLN1118           HN       GLN1118 -10.264  14.141 -10.350
  350    HA   GLN1118           HA       GLN1118 -11.060  16.557 -11.777
  351   1HB   GLN1118          HB1       GLN1118 -11.807  13.849 -11.613
  352   2HB   GLN1118          HB2       GLN1118 -13.184  14.729 -10.948
  353   1HG   GLN1118          HG2       GLN1118 -12.145  16.053 -13.317
  354   2HG   GLN1118          HG1       GLN1118 -12.578  14.379 -13.666
  355   1HE2  GLN1118          HE22      GLN1118 -14.843  13.724 -13.247
  356   2HE2  GLN1118          HE21      GLN1118 -16.070  14.892 -13.141
  357    H    LEU1119           HN       LEU1119 -12.336  14.894  -8.857
  358    HA   LEU1119           HA       LEU1119 -13.908  17.071  -7.881
  359   1HB   LEU1119          HB1       LEU1119 -14.073  14.762  -7.053
  360   2HB   LEU1119          HB2       LEU1119 -12.404  14.818  -6.490
  361    HG   LEU1119           HG       LEU1119 -14.243  16.943  -5.495
  362   1HD1  LEU1119          HD21      LEU1119 -15.761  15.456  -4.726
  363   2HD1  LEU1119          HD22      LEU1119 -14.504  14.901  -3.620
  364   3HD1  LEU1119          HD23      LEU1119 -14.744  14.084  -5.165
  365   1HD2  LEU1119          HD11      LEU1119 -12.780  15.762  -3.426
  366   2HD2  LEU1119          HD12      LEU1119 -12.354  17.238  -4.293
  367   3HD2  LEU1119          HD13      LEU1119 -11.703  15.686  -4.820
  368    H    LEU1120           HN       LEU1120 -10.543  16.099  -7.274
  369    HA   LEU1120           HA       LEU1120  -9.831  18.245  -5.492
  370   1HB   LEU1120          HB1       LEU1120  -8.671  15.989  -6.809
  371   2HB   LEU1120          HB2       LEU1120  -7.656  17.389  -7.141
  372    HG   LEU1120           HG       LEU1120  -8.021  17.847  -4.564
  373   1HD1  LEU1120          HD11      LEU1120  -8.640  16.065  -3.276
  374   2HD1  LEU1120          HD12      LEU1120  -7.846  14.900  -4.334
  375   3HD1  LEU1120          HD13      LEU1120  -9.437  15.528  -4.755
  376   1HD2  LEU1120          HD21      LEU1120  -6.042  15.873  -4.517
  377   2HD2  LEU1120          HD22      LEU1120  -5.807  17.583  -4.871
  378   3HD2  LEU1120          HD23      LEU1120  -6.060  16.437  -6.185
  379    H    GLY1121           HN       GLY1121  -9.678  17.826  -9.030
  380   1HA   GLY1121          HA1       GLY1121  -9.794  19.525 -10.682
  381   2HA   GLY1121          HA2       GLY1121  -9.821  20.734  -9.399
  382    H    ILE1122           HN       ILE1122  -7.379  18.190  -9.760
  383    HA   ILE1122           HA       ILE1122  -5.400  20.251 -10.637
  384    HB   ILE1122           HB       ILE1122  -5.364  20.107  -8.180
  385   1HG1  ILE1122          HG12      ILE1122  -2.992  19.342  -7.890
  386   2HG1  ILE1122          HG11      ILE1122  -3.042  18.701  -9.533
  387   1HG2  ILE1122          HG21      ILE1122  -5.971  17.400  -8.664
  388   2HG2  ILE1122          HG22      ILE1122  -5.715  18.164  -7.095
  389   3HG2  ILE1122          HG23      ILE1122  -4.366  17.398  -7.933
  390   1HD1  ILE1122          HD11      ILE1122  -3.026  20.791 -10.495
  391   2HD1  ILE1122          HD12      ILE1122  -2.181  21.189  -9.000
  392   3HD1  ILE1122          HD13      ILE1122  -3.904  21.530  -9.156
  393    HA   PRO1123           HA       PRO1123  -5.122  16.256 -13.000
  394   1HB   PRO1123          HB2       PRO1123  -4.258  18.135 -15.129
  395   2HB   PRO1123          HB1       PRO1123  -5.499  16.872 -15.187
  396   1HG   PRO1123          HG2       PRO1123  -6.103  19.490 -15.136
  397   2HG   PRO1123          HG1       PRO1123  -7.132  18.260 -14.389
  398   1HD   PRO1123          HD1       PRO1123  -5.268  20.201 -13.113
  399   2HD   PRO1123          HD2       PRO1123  -6.821  19.567 -12.528
  400    H    ASP1124           HN       ASP1124  -3.236  15.586 -11.880
  401    HA   ASP1124           HA       ASP1124  -0.705  15.988 -13.214
  402   1HB   ASP1124          HB2       ASP1124  -1.499  18.077 -11.592
  403   2HB   ASP1124          HB1       ASP1124  -0.512  17.117 -10.489
  404    H    TYR1125           HN       TYR1125  -2.262  15.221 -10.094
  405    HA   TYR1125           HA       TYR1125  -0.219  13.448  -9.132
  406   1HB   TYR1125          HB2       TYR1125  -2.376  14.622  -8.086
  407   2HB   TYR1125          HB1       TYR1125  -3.128  13.080  -8.494
  408    HD1  TYR1125           HD1      TYR1125  -0.423  14.697  -6.539
  409    HD2  TYR1125           HD2      TYR1125  -2.576  11.060  -7.307
  410    HE1  TYR1125           HE1      TYR1125   0.606  13.664  -4.533
  411    HE2  TYR1125           HE2      TYR1125  -1.547  10.028  -5.301
  412    HH   TYR1125           HH       TYR1125   0.284  10.268  -3.846
  413    H    PHE1126           HN       PHE1126  -2.674  13.060 -11.553
  414    HA   PHE1126           HA       PHE1126  -2.370  10.086 -11.468
  415   1HB   PHE1126          HB2       PHE1126  -4.454  12.060 -12.288
  416   2HB   PHE1126          HB1       PHE1126  -4.378  10.561 -13.216
  417    HD1  PHE1126           HD1      PHE1126  -4.066  11.584  -9.610
  418    HD2  PHE1126           HD2      PHE1126  -5.766   8.859 -12.461
  419    HE1  PHE1126           HE1      PHE1126  -5.222  10.385  -7.773
  420    HE2  PHE1126           HE2      PHE1126  -6.923   7.660 -10.624
  421    HZ   PHE1126           HZ       PHE1126  -6.652   8.423  -8.281
  422    H    ASP1127           HN       ASP1127  -1.284  12.839 -13.180
  423    HA   ASP1127           HA       ASP1127  -1.050  11.498 -15.792
  424   1HB   ASP1127          HB1       ASP1127  -0.357  14.167 -14.573
  425   2HB   ASP1127          HB2       ASP1127   0.282  13.732 -16.157
  426    H    ILE1128           HN       ILE1128   0.978  12.210 -12.992
  427    HA   ILE1128           HA       ILE1128   3.409  11.256 -14.405
  428    HB   ILE1128           HB       ILE1128   2.925  12.313 -11.593
  429   1HG1  ILE1128          HG12      ILE1128   3.949  13.711 -14.084
  430   2HG1  ILE1128          HG11      ILE1128   2.351  13.941 -13.373
  431   1HG2  ILE1128          HG21      ILE1128   5.273  12.479 -11.374
  432   2HG2  ILE1128          HG22      ILE1128   5.535  12.272 -13.105
  433   3HG2  ILE1128          HG23      ILE1128   5.030  10.899 -12.120
  434   1HD1  ILE1128          HD11      ILE1128   4.928  15.068 -12.560
  435   2HD1  ILE1128          HD12      ILE1128   4.068  14.308 -11.220
  436   3HD1  ILE1128          HD13      ILE1128   3.295  15.593 -12.149
  437    H    VAL1129           HN       VAL1129   1.022  10.161 -12.101
  438    HA   VAL1129           HA       VAL1129   2.684   7.733 -11.529
  439    HB   VAL1129           HB       VAL1129   0.350   9.030 -10.071
  440   1HG1  VAL1129          HG21      VAL1129   2.088   6.872  -8.913
  441   2HG1  VAL1129          HG22      VAL1129   0.746   6.420  -9.964
  442   3HG1  VAL1129          HG23      VAL1129   0.440   7.326  -8.483
  443   1HG2  VAL1129          HG11      VAL1129   1.882  10.119  -8.792
  444   2HG2  VAL1129          HG12      VAL1129   2.984   9.817 -10.136
  445   3HG2  VAL1129          HG13      VAL1129   2.966   8.728  -8.747
  446    H    LYS1130           HN       LYS1130   2.086   6.273 -13.130
  447    HA   LYS1130           HA       LYS1130  -0.423   6.075 -14.424
  448   1HB   LYS1130          HB2       LYS1130   2.058   4.870 -14.509
  449   2HB   LYS1130          HB1       LYS1130   1.034   3.553 -13.937
  450   1HG   LYS1130          HG2       LYS1130   0.158   5.239 -16.270
  451   2HG   LYS1130          HG1       LYS1130   1.299   3.916 -16.514
  452   1HD   LYS1130          HD2       LYS1130  -0.444   2.534 -15.110
  453   2HD   LYS1130          HD1       LYS1130  -1.561   3.808 -15.600
  454   1HE   LYS1130          HE2       LYS1130  -1.228   3.331 -17.928
  455   2HE   LYS1130          HE1       LYS1130   0.175   2.302 -17.583
  456   1HZ   LYS1130          HZ1       LYS1130  -1.995   1.093 -17.921
  457   2HZ   LYS1130          HZ2       LYS1130  -2.527   1.787 -16.465
  458   3HZ   LYS1130          HZ3       LYS1130  -1.188   0.742 -16.469
  459    H    ASN1131           HN       ASN1131   0.656   4.770 -11.327
  460    HA   ASN1131           HA       ASN1131  -2.122   3.729 -10.888
  461   1HB   ASN1131          HB1       ASN1131   0.584   2.507 -10.242
  462   2HB   ASN1131          HB2       ASN1131  -0.936   1.877  -9.608
  463   1HD2  ASN1131          HD22      ASN1131   1.067   2.133 -12.490
  464   2HD2  ASN1131          HD21      ASN1131   0.101   1.149 -13.479
  465    HA   PRO1132           HA       PRO1132  -1.186   6.785  -7.601
  466   1HB   PRO1132          HB2       PRO1132  -4.100   6.541  -7.173
  467   2HB   PRO1132          HB1       PRO1132  -3.134   7.993  -7.478
  468   1HG   PRO1132          HG2       PRO1132  -4.802   6.896  -9.312
  469   2HG   PRO1132          HG1       PRO1132  -3.364   7.806  -9.736
  470   1HD   PRO1132          HD1       PRO1132  -3.852   4.939  -9.862
  471   2HD   PRO1132          HD2       PRO1132  -2.783   5.944 -10.838
  472    H    MET1133           HN       MET1133  -3.436   4.027  -7.441
  473    HA   MET1133           HA       MET1133  -3.776   2.407  -5.766
  474   1HB   MET1133          HB2       MET1133  -0.947   3.294  -5.088
  475   2HB   MET1133          HB1       MET1133  -1.692   1.777  -4.591
  476   1HG   MET1133          HG2       MET1133  -1.218   2.649  -7.458
  477   2HG   MET1133          HG1       MET1133  -0.265   1.455  -6.577
  478   1HE   MET1133          HE1       MET1133  -2.875   0.038  -4.855
  479   2HE   MET1133          HE2       MET1133  -1.232  -0.396  -5.326
  480   3HE   MET1133          HE3       MET1133  -2.590  -1.398  -5.838
  481    H    ASP1134           HN       ASP1134  -3.859   2.116  -3.346
  482    HA   ASP1134           HA       ASP1134  -3.429   4.273  -1.512
  483   1HB   ASP1134          HB2       ASP1134  -5.869   4.916  -1.274
  484   2HB   ASP1134          HB1       ASP1134  -5.153   5.399  -2.810
  485    H    LEU1135           HN       LEU1135  -4.086   3.652   0.638
  486    HA   LEU1135           HA       LEU1135  -4.019   0.949   1.318
  487   1HB   LEU1135          HB1       LEU1135  -4.813   3.515   2.532
  488   2HB   LEU1135          HB2       LEU1135  -5.575   2.118   3.289
  489    HG   LEU1135           HG       LEU1135  -2.604   2.251   2.732
  490   1HD1  LEU1135          HD11      LEU1135  -4.041   3.824   4.582
  491   2HD1  LEU1135          HD12      LEU1135  -2.298   3.562   4.539
  492   3HD1  LEU1135          HD13      LEU1135  -3.322   2.516   5.522
  493   1HD2  LEU1135          HD21      LEU1135  -2.683   0.534   4.639
  494   2HD2  LEU1135          HD22      LEU1135  -3.327   0.011   3.083
  495   3HD2  LEU1135          HD23      LEU1135  -4.426   0.488   4.377
  496    H    SER1136           HN       SER1136  -6.798   2.849   0.278
  497    HA   SER1136           HA       SER1136  -8.810   0.917   1.089
  498   1HB   SER1136          HB2       SER1136  -9.543   3.137   0.813
  499   2HB   SER1136          HB1       SER1136  -8.626   3.354  -0.678
  500    HG   SER1136           HG       SER1136 -10.975   3.041  -0.873
  501    H    THR1137           HN       THR1137  -6.623   1.154  -1.606
  502    HA   THR1137           HA       THR1137  -8.232  -0.409  -3.476
  503    HB   THR1137           HB       THR1137  -5.285   0.326  -3.296
  504    HG1  THR1137           HG1      THR1137  -6.011   1.750  -5.025
  505   1HG2  THR1137          HG21      THR1137  -6.830  -0.777  -5.663
  506   2HG2  THR1137          HG22      THR1137  -5.705  -1.717  -4.682
  507   3HG2  THR1137          HG23      THR1137  -5.119  -0.351  -5.633
  508    H    ILE1138           HN       ILE1138  -5.165  -1.163  -1.775
  509    HA   ILE1138           HA       ILE1138  -5.176  -3.952  -2.288
  510    HB   ILE1138           HB       ILE1138  -4.058  -2.206  -0.068
  511   1HG1  ILE1138          HG11      ILE1138  -2.304  -3.564  -2.010
  512   2HG1  ILE1138          HG12      ILE1138  -3.403  -2.384  -2.725
  513   1HG2  ILE1138          HG21      ILE1138  -2.527  -4.118   0.419
  514   2HG2  ILE1138          HG22      ILE1138  -3.484  -5.126  -0.668
  515   3HG2  ILE1138          HG23      ILE1138  -4.209  -4.485   0.807
  516   1HD1  ILE1138          HD11      ILE1138  -1.641  -1.808  -0.327
  517   2HD1  ILE1138          HD12      ILE1138  -2.599  -0.646  -1.245
  518   3HD1  ILE1138          HD13      ILE1138  -1.195  -1.413  -1.988
  519    H    LYS1139           HN       LYS1139  -6.419  -2.169   0.572
  520    HA   LYS1139           HA       LYS1139  -7.340  -4.412   2.049
  521   1HB   LYS1139          HB2       LYS1139  -7.171  -2.123   2.923
  522   2HB   LYS1139          HB1       LYS1139  -8.402  -1.572   1.787
  523   1HG   LYS1139          HG1       LYS1139 -10.127  -2.597   2.947
  524   2HG   LYS1139          HG2       LYS1139  -9.075  -3.844   3.616
  525   1HD   LYS1139          HD2       LYS1139  -9.260  -2.579   5.516
  526   2HD   LYS1139          HD1       LYS1139  -7.975  -1.642   4.754
  527   1HE   LYS1139          HE1       LYS1139  -9.647  -0.114   3.777
  528   2HE   LYS1139          HE2       LYS1139 -10.952  -1.068   4.505
  529   1HZ   LYS1139          HZ1       LYS1139  -8.736   0.294   5.953
  530   2HZ   LYS1139          HZ2       LYS1139  -9.899  -0.706   6.683
  531   3HZ   LYS1139          HZ3       LYS1139 -10.369   0.758   5.961
  532    H    ARG1140           HN       ARG1140  -8.972  -2.501  -0.494
  533    HA   ARG1140           HA       ARG1140 -11.510  -3.848  -0.301
  534   1HB   ARG1140          HB2       ARG1140 -11.127  -1.662  -1.382
  535   2HB   ARG1140          HB1       ARG1140 -10.114  -2.432  -2.602
  536   1HG   ARG1140          HG2       ARG1140 -12.257  -2.223  -3.622
  537   2HG   ARG1140          HG1       ARG1140 -12.151  -3.911  -3.122
  538   1HD   ARG1140          HD2       ARG1140 -14.275  -3.286  -2.311
  539   2HD   ARG1140          HD1       ARG1140 -13.250  -3.009  -0.890
  540    HE   ARG1140           HE       ARG1140 -13.362  -0.705  -2.680
  541   1HH1  ARG1140          HH11      ARG1140 -14.923  -2.376  -0.054
  542   2HH1  ARG1140          HH12      ARG1140 -15.707  -0.950   0.532
  543   1HH2  ARG1140          HH21      ARG1140 -14.392   1.132  -1.899
  544   2HH2  ARG1140          HH22      ARG1140 -15.410   1.022  -0.503
  545    H    LYS1141           HN       LYS1141  -8.892  -4.208  -2.737
  546    HA   LYS1141           HA       LYS1141  -9.909  -6.479  -4.075
  547   1HB   LYS1141          HB2       LYS1141  -7.074  -5.602  -3.416
  548   2HB   LYS1141          HB1       LYS1141  -7.468  -6.827  -4.622
  549   1HG   LYS1141          HG2       LYS1141  -8.229  -5.285  -6.124
  550   2HG   LYS1141          HG1       LYS1141  -8.964  -4.284  -4.872
  551   1HD   LYS1141          HD2       LYS1141  -7.228  -2.872  -5.262
  552   2HD   LYS1141          HD1       LYS1141  -6.282  -4.020  -4.315
  553   1HE   LYS1141          HE1       LYS1141  -5.972  -5.281  -6.586
  554   2HE   LYS1141          HE2       LYS1141  -6.447  -3.734  -7.314
  555   1HZ   LYS1141          HZ1       LYS1141  -4.712  -2.618  -6.219
  556   2HZ   LYS1141          HZ2       LYS1141  -3.989  -4.041  -6.800
  557   3HZ   LYS1141          HZ3       LYS1141  -4.416  -3.913  -5.161
  558    H    LEU1142           HN       LEU1142  -8.459  -6.187  -0.919
  559    HA   LEU1142           HA       LEU1142  -7.898  -9.055  -0.630
  560   1HB   LEU1142          HB2       LEU1142  -7.505  -6.510   0.801
  561   2HB   LEU1142          HB1       LEU1142  -7.871  -7.860   1.875
  562    HG   LEU1142           HG       LEU1142  -5.869  -8.299  -0.305
  563   1HD1  LEU1142          HD11      LEU1142  -4.729  -6.452   0.432
  564   2HD1  LEU1142          HD12      LEU1142  -4.244  -7.553   1.723
  565   3HD1  LEU1142          HD13      LEU1142  -5.575  -6.425   1.981
  566   1HD2  LEU1142          HD21      LEU1142  -6.408  -9.292   2.489
  567   2HD2  LEU1142          HD22      LEU1142  -4.849  -9.573   1.714
  568   3HD2  LEU1142          HD23      LEU1142  -6.321 -10.216   0.988
  569    H    ASP1143           HN       ASP1143 -10.276  -6.720   0.695
  570    HA   ASP1143           HA       ASP1143 -11.747  -8.476   2.339
  571   1HB   ASP1143          HB2       ASP1143 -11.867  -5.889   1.769
  572   2HB   ASP1143          HB1       ASP1143 -13.094  -6.410   0.615
  573    H    THR1144           HN       THR1144 -11.818  -8.076  -1.171
  574    HA   THR1144           HA       THR1144 -14.109  -9.954  -1.409
  575    HB   THR1144           HB       THR1144 -13.891  -9.279  -3.825
  576    HG1  THR1144           HG1      THR1144 -11.875  -8.736  -4.202
  577   1HG2  THR1144          HG21      THR1144 -15.224  -7.963  -2.119
  578   2HG2  THR1144          HG22      THR1144 -14.672  -7.020  -3.503
  579   3HG2  THR1144          HG23      THR1144 -13.832  -6.892  -1.958
  580    H    GLY1145           HN       GLY1145 -10.697  -9.668  -2.460
  581   1HA   GLY1145          HA1       GLY1145  -9.234 -11.645  -2.382
  582   2HA   GLY1145          HA2       GLY1145 -10.650 -12.643  -2.714
  583    H    GLN1146           HN       GLN1146  -8.802  -9.952  -4.185
  584    HA   GLN1146           HA       GLN1146  -9.694 -10.800  -6.870
  585   1HB   GLN1146          HB1       GLN1146  -8.635  -8.439  -5.525
  586   2HB   GLN1146          HB2       GLN1146  -7.825  -8.729  -7.067
  587   1HG   GLN1146          HG2       GLN1146  -9.862  -8.652  -8.276
  588   2HG   GLN1146          HG1       GLN1146 -10.830  -8.858  -6.815
  589   1HE2  GLN1146          HE21      GLN1146 -11.346  -6.982  -5.592
  590   2HE2  GLN1146          HE22      GLN1146 -10.879  -5.419  -6.051
  591    H    TYR1147           HN       TYR1147  -6.836 -11.004  -4.827
  592    HA   TYR1147           HA       TYR1147  -5.382 -12.307  -7.108
  593   1HB   TYR1147          HB1       TYR1147  -4.270 -10.870  -4.670
  594   2HB   TYR1147          HB2       TYR1147  -3.338 -11.479  -6.035
  595    HD1  TYR1147           HD1      TYR1147  -4.022  -8.524  -4.776
  596    HD2  TYR1147           HD2      TYR1147  -5.037 -10.716  -8.329
  597    HE1  TYR1147           HE1      TYR1147  -4.380  -6.392  -5.991
  598    HE2  TYR1147           HE2      TYR1147  -5.395  -8.583  -9.542
  599    HH   TYR1147           HH       TYR1147  -4.289  -5.665  -8.494
  600    H    GLN1148           HN       GLN1148  -4.129 -14.184  -6.562
  601    HA   GLN1148           HA       GLN1148  -5.063 -15.571  -4.081
  602   1HB   GLN1148          HB1       GLN1148  -4.049 -16.459  -6.797
  603   2HB   GLN1148          HB2       GLN1148  -4.267 -17.588  -5.461
  604   1HG   GLN1148          HG2       GLN1148  -6.649 -16.824  -5.282
  605   2HG   GLN1148          HG1       GLN1148  -6.398 -15.850  -6.729
  606   1HE2  GLN1148          HE21      GLN1148  -5.946 -19.262  -5.629
  607   2HE2  GLN1148          HE22      GLN1148  -6.392 -19.952  -7.114
  608    H    GLU1149           HN       GLU1149  -2.320 -14.075  -5.492
  609    HA   GLU1149           HA       GLU1149  -0.439 -15.706  -3.838
  610   1HB   GLU1149          HB2       GLU1149  -0.312 -14.046  -6.334
  611   2HB   GLU1149          HB1       GLU1149   1.157 -14.210  -5.371
  612   1HG   GLU1149          HG1       GLU1149   1.304 -16.039  -6.835
  613   2HG   GLU1149          HG2       GLU1149   0.586 -16.761  -5.395
  614    HA   PRO1150           HA       PRO1150  -0.001 -12.306  -1.063
  615   1HB   PRO1150          HB2       PRO1150   2.535 -12.805  -0.124
  616   2HB   PRO1150          HB1       PRO1150   1.118 -13.753   0.367
  617   1HG   PRO1150          HG1       PRO1150   3.227 -14.389  -1.641
  618   2HG   PRO1150          HG2       PRO1150   2.435 -15.449  -0.467
  619   1HD   PRO1150          HD2       PRO1150   1.777 -15.379  -3.110
  620   2HD   PRO1150          HD1       PRO1150   0.623 -15.808  -1.829
  621    H    TRP1151           HN       TRP1151   2.500 -12.947  -3.476
  622    HA   TRP1151           HA       TRP1151   4.043 -10.583  -3.260
  623   1HB   TRP1151          HB2       TRP1151   3.207 -12.198  -5.699
  624   2HB   TRP1151          HB1       TRP1151   4.593 -11.108  -5.628
  625    HD1  TRP1151           HD1      TRP1151   4.071 -14.585  -5.581
  626    HE1  TRP1151           HE1      TRP1151   5.785 -15.858  -4.135
  627    HE3  TRP1151           HE3      TRP1151   5.944 -10.716  -2.827
  628    HZ2  TRP1151           HZ2      TRP1151   7.697 -15.305  -2.080
  629    HZ3  TRP1151           HZ3      TRP1151   7.709 -11.115  -1.134
  630    HH2  TRP1151           HH2      TRP1151   8.587 -13.403  -0.757
  631    H    GLN1152           HN       GLN1152   0.876 -11.126  -4.729
  632    HA   GLN1152           HA       GLN1152   0.682  -8.721  -6.262
  633   1HB   GLN1152          HB2       GLN1152  -1.237 -10.597  -4.874
  634   2HB   GLN1152          HB1       GLN1152  -1.837  -9.182  -5.737
  635   1HG   GLN1152          HG2       GLN1152   0.103 -11.056  -7.073
  636   2HG   GLN1152          HG1       GLN1152  -1.616 -11.446  -7.030
  637   1HE2  GLN1152          HE21      GLN1152  -0.063 -10.733  -9.446
  638   2HE2  GLN1152          HE22      GLN1152  -0.764  -9.318 -10.069
  639    H    TYR1153           HN       TYR1153   0.053  -9.418  -2.835
  640    HA   TYR1153           HA       TYR1153  -1.058  -6.804  -2.225
  641   1HB   TYR1153          HB2       TYR1153  -1.516  -8.827  -0.906
  642   2HB   TYR1153          HB1       TYR1153   0.201  -9.006  -0.545
  643    HD1  TYR1153           HD1      TYR1153   1.352  -7.400   0.947
  644    HD2  TYR1153           HD2      TYR1153  -2.876  -7.173   0.222
  645    HE1  TYR1153           HE1      TYR1153   1.095  -5.906   2.910
  646    HE2  TYR1153           HE2      TYR1153  -3.132  -5.678   2.185
  647    HH   TYR1153           HH       TYR1153  -1.284  -5.412   4.544
  648    H    VAL1154           HN       VAL1154   2.069  -8.314  -1.298
  649    HA   VAL1154           HA       VAL1154   3.322  -5.993  -0.291
  650    HB   VAL1154           HB       VAL1154   4.414  -8.403  -1.792
  651   1HG1  VAL1154          HG11      VAL1154   6.566  -7.888  -0.802
  652   2HG1  VAL1154          HG12      VAL1154   5.878  -6.528   0.087
  653   3HG1  VAL1154          HG13      VAL1154   6.008  -6.457  -1.671
  654   1HG2  VAL1154          HG21      VAL1154   3.141  -8.161   0.708
  655   2HG2  VAL1154          HG22      VAL1154   4.861  -8.308   1.068
  656   3HG2  VAL1154          HG23      VAL1154   4.051  -9.550   0.113
  657    H    ASP1155           HN       ASP1155   2.785  -7.029  -3.611
  658    HA   ASP1155           HA       ASP1155   4.640  -5.119  -4.807
  659   1HB   ASP1155          HB2       ASP1155   3.987  -7.238  -5.877
  660   2HB   ASP1155          HB1       ASP1155   2.297  -6.736  -5.878
  661    H    ASP1156           HN       ASP1156   1.129  -5.238  -4.204
  662    HA   ASP1156           HA       ASP1156   0.555  -2.723  -5.533
  663   1HB   ASP1156          HB1       ASP1156  -0.878  -4.455  -3.489
  664   2HB   ASP1156          HB2       ASP1156  -1.617  -3.041  -4.240
  665    H    VAL1157           HN       VAL1157   1.085  -3.682  -2.134
  666    HA   VAL1157           HA       VAL1157   0.565  -1.162  -0.919
  667    HB   VAL1157           HB       VAL1157   2.554  -3.349  -0.198
  668   1HG1  VAL1157          HG21      VAL1157   1.585  -2.345   2.149
  669   2HG1  VAL1157          HG22      VAL1157   1.615  -0.890   1.152
  670   3HG1  VAL1157          HG23      VAL1157   3.094  -1.817   1.404
  671   1HG2  VAL1157          HG11      VAL1157  -0.323  -3.315  -0.337
  672   2HG2  VAL1157          HG12      VAL1157   0.178  -3.474   1.347
  673   3HG2  VAL1157          HG13      VAL1157   0.740  -4.637   0.146
  674    H    TRP1158           HN       TRP1158   3.737  -2.568  -1.865
  675    HA   TRP1158           HA       TRP1158   5.274  -0.218  -1.354
  676   1HB   TRP1158          HB2       TRP1158   5.507  -2.742  -2.935
  677   2HB   TRP1158          HB1       TRP1158   6.678  -1.468  -3.275
  678    HD1  TRP1158           HD1      TRP1158   6.220  -4.320  -1.077
  679    HE1  TRP1158           HE1      TRP1158   7.731  -4.164   1.008
  680    HE3  TRP1158           HE3      TRP1158   7.619   0.581  -1.369
  681    HZ2  TRP1158           HZ2      TRP1158   9.324  -2.210   2.374
  682    HZ3  TRP1158           HZ3      TRP1158   9.130   1.561   0.330
  683    HH2  TRP1158           HH2      TRP1158   9.984   0.175   2.199
  684    H    LEU1159           HN       LEU1159   3.433  -1.272  -4.198
  685    HA   LEU1159           HA       LEU1159   4.347   0.668  -6.079
  686   1HB   LEU1159          HB1       LEU1159   2.908  -1.278  -6.592
  687   2HB   LEU1159          HB2       LEU1159   1.609  -0.585  -5.624
  688    HG   LEU1159           HG       LEU1159   1.746   1.454  -7.166
  689   1HD1  LEU1159          HD21      LEU1159   3.302  -0.544  -8.838
  690   2HD1  LEU1159          HD22      LEU1159   3.962   0.925  -8.120
  691   3HD1  LEU1159          HD23      LEU1159   2.740   1.035  -9.386
  692   1HD2  LEU1159          HD11      LEU1159   0.069   0.554  -8.452
  693   2HD2  LEU1159          HD12      LEU1159   0.202  -0.753  -7.276
  694   3HD2  LEU1159          HD13      LEU1159   1.001  -0.891  -8.842
  695    H    MET1160           HN       MET1160   2.012   0.832  -3.431
  696    HA   MET1160           HA       MET1160   0.903   3.423  -4.034
  697   1HB   MET1160          HB1       MET1160   0.384   1.398  -2.309
  698   2HB   MET1160          HB2       MET1160   1.261   2.472  -1.222
  699   1HG   MET1160          HG1       MET1160  -0.284   4.328  -1.894
  700   2HG   MET1160          HG2       MET1160  -1.205   3.166  -2.850
  701   1HE   MET1160          HE1       MET1160   0.410   2.058   0.765
  702   2HE   MET1160          HE2       MET1160  -0.546   3.243   1.657
  703   3HE   MET1160          HE3       MET1160   0.524   3.771   0.358
  704    H    PHE1161           HN       PHE1161   3.551   2.352  -1.873
  705    HA   PHE1161           HA       PHE1161   4.334   4.989  -1.020
  706   1HB   PHE1161          HB1       PHE1161   5.991   2.454  -1.323
  707   2HB   PHE1161          HB2       PHE1161   6.330   3.800  -0.237
  708    HD1  PHE1161           HD1      PHE1161   3.448   4.328   0.651
  709    HD2  PHE1161           HD2      PHE1161   5.732   0.706   0.297
  710    HE1  PHE1161           HE1      PHE1161   2.045   3.274   2.400
  711    HE2  PHE1161           HE2      PHE1161   4.326  -0.348   2.046
  712    HZ   PHE1161           HZ       PHE1161   2.483   0.935   3.098
  713    H    ASN1162           HN       ASN1162   4.984   3.059  -3.864
  714    HA   ASN1162           HA       ASN1162   7.288   4.383  -4.888
  715   1HB   ASN1162          HB2       ASN1162   5.608   2.323  -5.596
  716   2HB   ASN1162          HB1       ASN1162   5.175   3.545  -6.791
  717   1HD2  ASN1162          HD22      ASN1162   7.261   4.665  -7.796
  718   2HD2  ASN1162          HD21      ASN1162   8.523   3.608  -8.204
  719    H    ASN1163           HN       ASN1163   3.829   4.950  -5.654
  720    HA   ASN1163           HA       ASN1163   4.139   7.247  -7.258
  721   1HB   ASN1163          HB1       ASN1163   2.032   6.087  -7.049
  722   2HB   ASN1163          HB2       ASN1163   2.004   6.325  -5.305
  723   1HD2  ASN1163          HD22      ASN1163  -0.235   7.297  -5.994
  724   2HD2  ASN1163          HD21      ASN1163  -0.252   8.953  -6.364
  725    H    ALA1164           HN       ALA1164   3.747   7.039  -3.684
  726    HA   ALA1164           HA       ALA1164   3.712   9.802  -3.103
  727   1HB   ALA1164          HB1       ALA1164   3.374   7.902  -1.512
  728   2HB   ALA1164          HB2       ALA1164   4.530   9.084  -0.896
  729   3HB   ALA1164          HB3       ALA1164   5.104   7.564  -1.584
  730    H    TRP1165           HN       TRP1165   6.618   7.685  -3.147
  731    HA   TRP1165           HA       TRP1165   8.468   9.917  -2.999
  732   1HB   TRP1165          HB1       TRP1165   8.818   7.026  -3.888
  733   2HB   TRP1165          HB2       TRP1165  10.116   8.109  -3.388
  734    HD1  TRP1165           HD1      TRP1165   7.981   9.272  -0.989
  735    HE1  TRP1165           HE1      TRP1165   7.941   7.897   1.189
  736    HE3  TRP1165           HE3      TRP1165  10.018   4.897  -2.664
  737    HZ2  TRP1165           HZ2      TRP1165   8.671   5.288   2.103
  738    HZ3  TRP1165           HZ3      TRP1165  10.334   2.985  -1.119
  739    HH2  TRP1165           HH2      TRP1165   9.664   3.176   1.262
  740    H    LEU1166           HN       LEU1166   6.558   8.754  -5.552
  741    HA   LEU1166           HA       LEU1166   8.523   9.390  -7.670
  742   1HB   LEU1166          HB2       LEU1166   7.100   7.345  -7.676
  743   2HB   LEU1166          HB1       LEU1166   5.661   8.355  -7.662
  744    HG   LEU1166           HG       LEU1166   6.385   7.410  -9.923
  745   1HD1  LEU1166          HD11      LEU1166   6.350  10.275 -10.423
  746   2HD1  LEU1166          HD12      LEU1166   5.176   9.811  -9.191
  747   3HD1  LEU1166          HD13      LEU1166   5.124   9.059 -10.786
  748   1HD2  LEU1166          HD21      LEU1166   8.813   7.897  -9.623
  749   2HD2  LEU1166          HD22      LEU1166   8.446   9.619  -9.712
  750   3HD2  LEU1166          HD23      LEU1166   8.157   8.582 -11.109
  751    H    TYR1167           HN       TYR1167   5.787  10.802  -6.035
  752    HA   TYR1167           HA       TYR1167   5.704  12.981  -8.097
  753   1HB   TYR1167          HB1       TYR1167   3.685  11.494  -7.853
  754   2HB   TYR1167          HB2       TYR1167   3.542  12.035  -6.181
  755    HD1  TYR1167           HD1      TYR1167   2.617  14.173  -5.638
  756    HD2  TYR1167           HD2      TYR1167   3.479  13.160  -9.723
  757    HE1  TYR1167           HE1      TYR1167   1.385  16.188  -6.398
  758    HE2  TYR1167           HE2      TYR1167   2.248  15.174 -10.482
  759    HH   TYR1167           HH       TYR1167   1.500  17.705  -8.561
  760    H    ASN1168           HN       ASN1168   5.866  12.185  -4.664
  761    HA   ASN1168           HA       ASN1168   5.683  15.027  -3.871
  762   1HB   ASN1168          HB2       ASN1168   6.205  12.469  -2.313
  763   2HB   ASN1168          HB1       ASN1168   5.804  14.034  -1.612
  764   1HD2  ASN1168          HD21      ASN1168   4.264  11.365  -1.664
  765   2HD2  ASN1168          HD22      ASN1168   2.730  11.786  -2.257
  766    H    ARG1169           HN       ARG1169   8.153  12.598  -4.438
  767    HA   ARG1169           HA       ARG1169  10.507  12.713  -4.250
  768   1HB   ARG1169          HB1       ARG1169   9.454  15.079  -5.347
  769   2HB   ARG1169          HB2       ARG1169  10.619  15.629  -4.143
  770   1HG   ARG1169          HG2       ARG1169  12.414  14.580  -5.208
  771   2HG   ARG1169          HG1       ARG1169  11.374  13.414  -6.027
  772   1HD   ARG1169          HD2       ARG1169  12.159  15.049  -7.671
  773   2HD   ARG1169          HD1       ARG1169  10.432  15.337  -7.385
  774    HE   ARG1169           HE       ARG1169  11.763  16.869  -5.457
  775   1HH1  ARG1169          HH22      ARG1169  11.726  16.648  -8.931
  776   2HH1  ARG1169          HH21      ARG1169  12.114  18.318  -9.151
  777   1HH2  ARG1169          HH12      ARG1169  12.266  19.033  -5.768
  778   2HH2  ARG1169          HH11      ARG1169  12.418  19.661  -7.375
  779    H    LYS1170           HN       LYS1170  12.071  14.728  -2.929
  780    HA   LYS1170           HA       LYS1170  11.403  14.072  -0.110
  781   1HB   LYS1170          HB1       LYS1170  13.736  14.636   0.271
  782   2HB   LYS1170          HB2       LYS1170  13.648  13.628  -1.170
  783   1HG   LYS1170          HG1       LYS1170  14.731  15.247  -2.297
  784   2HG   LYS1170          HG2       LYS1170  13.317  16.279  -2.076
  785   1HD   LYS1170          HD2       LYS1170  14.215  16.980   0.137
  786   2HD   LYS1170          HD1       LYS1170  15.644  16.005  -0.174
  787   1HE   LYS1170          HE1       LYS1170  14.933  17.896  -2.321
  788   2HE   LYS1170          HE2       LYS1170  15.506  18.633  -0.817
  789   1HZ   LYS1170          HZ1       LYS1170  17.430  17.258  -0.847
  790   2HZ   LYS1170          HZ2       LYS1170  17.309  17.942  -2.397
  791   3HZ   LYS1170          HZ3       LYS1170  16.839  16.330  -2.141
  792    H    THR1171           HN       THR1171  10.414  16.465  -2.059
  793    HA   THR1171           HA       THR1171  11.022  18.703  -0.184
  794    HB   THR1171           HB       THR1171  10.048  20.023  -2.137
  795    HG1  THR1171           HG1      THR1171   9.488  18.954  -3.924
  796   1HG2  THR1171          HG21      THR1171  12.178  18.327  -3.320
  797   2HG2  THR1171          HG22      THR1171  12.552  19.055  -1.758
  798   3HG2  THR1171          HG23      THR1171  12.112  20.078  -3.125
  799    H    SER1172           HN       SER1172   9.150  16.729   0.735
  800    HA   SER1172           HA       SER1172   6.825  18.447   1.221
  801   1HB   SER1172          HB1       SER1172   6.565  17.325  -1.079
  802   2HB   SER1172          HB2       SER1172   6.420  15.800  -0.204
  803    HG   SER1172           HG       SER1172   4.518  17.497  -0.693
  804    H    ARG1173           HN       ARG1173   5.653  17.723   3.055
  805    HA   ARG1173           HA       ARG1173   7.010  15.919   4.851
  806   1HB   ARG1173          HB2       ARG1173   5.090  16.408   6.290
  807   2HB   ARG1173          HB1       ARG1173   5.620  17.883   5.483
  808   1HG   ARG1173          HG1       ARG1173   3.854  17.503   3.746
  809   2HG   ARG1173          HG2       ARG1173   3.281  16.124   4.687
  810   1HD   ARG1173          HD2       ARG1173   2.108  17.514   6.036
  811   2HD   ARG1173          HD1       ARG1173   3.595  18.403   6.425
  812    HE   ARG1173           HE       ARG1173   2.921  19.206   3.831
  813   1HH1  ARG1173          HH22      ARG1173   1.391  19.229   6.958
  814   2HH1  ARG1173          HH21      ARG1173   0.458  20.643   6.614
  815   1HH2  ARG1173          HH12      ARG1173   1.700  21.041   3.408
  816   2HH2  ARG1173          HH11      ARG1173   0.630  21.663   4.620
  817    H    VAL1174           HN       VAL1174   4.669  15.424   2.351
  818    HA   VAL1174           HA       VAL1174   3.391  13.057   3.377
  819    HB   VAL1174           HB       VAL1174   2.669  12.825   1.034
  820   1HG1  VAL1174          HG11      VAL1174   2.830  15.787   1.579
  821   2HG1  VAL1174          HG12      VAL1174   1.847  14.727   2.589
  822   3HG1  VAL1174          HG13      VAL1174   1.503  14.871   0.865
  823   1HG2  VAL1174          HG21      VAL1174   3.602  14.418  -0.666
  824   2HG2  VAL1174          HG22      VAL1174   4.775  13.229  -0.103
  825   3HG2  VAL1174          HG23      VAL1174   4.833  14.882   0.506
  826    H    TYR1175           HN       TYR1175   6.270  13.594   1.327
  827    HA   TYR1175           HA       TYR1175   6.878  10.849   0.793
  828   1HB   TYR1175          HB1       TYR1175   7.957  12.737  -0.339
  829   2HB   TYR1175          HB2       TYR1175   8.603  13.327   1.192
  830    HD1  TYR1175           HD1      TYR1175   9.118  11.107  -1.603
  831    HD2  TYR1175           HD2      TYR1175  10.245  11.851   2.474
  832    HE1  TYR1175           HE1      TYR1175  11.122   9.674  -1.896
  833    HE2  TYR1175           HE2      TYR1175  12.248  10.419   2.182
  834    HH   TYR1175           HH       TYR1175  12.631   8.264  -0.222
  835    H    LYS1176           HN       LYS1176   7.485  12.964   3.545
  836    HA   LYS1176           HA       LYS1176   9.200  11.163   5.020
  837   1HB   LYS1176          HB2       LYS1176   9.245  13.474   5.564
  838   2HB   LYS1176          HB1       LYS1176   7.490  13.596   5.567
  839   1HG   LYS1176          HG1       LYS1176   7.309  12.861   7.718
  840   2HG   LYS1176          HG2       LYS1176   8.646  11.721   7.552
  841   1HD   LYS1176          HD2       LYS1176   9.288  13.521   9.087
  842   2HD   LYS1176          HD1       LYS1176  10.240  13.638   7.607
  843   1HE   LYS1176          HE2       LYS1176   9.518  15.787   7.443
  844   2HE   LYS1176          HE1       LYS1176   7.904  15.136   7.101
  845   1HZ   LYS1176          HZ1       LYS1176   8.183  16.637   9.150
  846   2HZ   LYS1176          HZ2       LYS1176   8.939  15.296   9.867
  847   3HZ   LYS1176          HZ3       LYS1176   7.327  15.183   9.343
  848    H    PHE1177           HN       PHE1177   5.743  12.034   5.398
  849    HA   PHE1177           HA       PHE1177   4.978  10.144   7.341
  850   1HB   PHE1177          HB1       PHE1177   3.572  11.247   4.880
  851   2HB   PHE1177          HB2       PHE1177   2.741  10.391   6.166
  852    HD1  PHE1177           HD1      PHE1177   5.131  11.924   8.045
  853    HD2  PHE1177           HD2      PHE1177   1.773  13.005   5.584
  854    HE1  PHE1177           HE1      PHE1177   4.893  14.046   9.298
  855    HE2  PHE1177           HE2      PHE1177   1.542  15.127   6.842
  856    HZ   PHE1177           HZ       PHE1177   3.099  15.648   8.697
  857    H    CYS1178           HN       CYS1178   5.108   9.762   3.795
  858    HA   CYS1178           HA       CYS1178   4.205   7.029   3.749
  859   1HB   CYS1178          HB2       CYS1178   4.571   8.997   1.944
  860   2HB   CYS1178          HB1       CYS1178   6.079   8.119   1.690
  861    HG   CYS1178           HG       CYS1178   3.518   7.250   0.547
  862    H    SER1179           HN       SER1179   7.323   8.543   4.307
  863    HA   SER1179           HA       SER1179   9.000   6.283   3.745
  864   1HB   SER1179          HB2       SER1179  10.663   7.665   4.638
  865   2HB   SER1179          HB1       SER1179   9.428   8.857   4.237
  866    HG   SER1179           HG       SER1179  10.385   8.888   6.437
  867    H    LYS1180           HN       LYS1180   7.821   7.526   6.907
  868    HA   LYS1180           HA       LYS1180   8.734   5.379   8.506
  869   1HB   LYS1180          HB2       LYS1180   7.160   7.717   8.719
  870   2HB   LYS1180          HB1       LYS1180   6.142   6.413   9.329
  871   1HG   LYS1180          HG1       LYS1180   8.263   5.687  10.651
  872   2HG   LYS1180          HG2       LYS1180   8.838   7.321  10.320
  873   1HD   LYS1180          HD1       LYS1180   7.706   7.394  12.440
  874   2HD   LYS1180          HD2       LYS1180   6.645   8.171  11.268
  875   1HE   LYS1180          HE2       LYS1180   5.022   6.655  11.712
  876   2HE   LYS1180          HE1       LYS1180   6.123   5.328  11.297
  877   1HZ   LYS1180          HZ1       LYS1180   6.151   6.798  13.883
  878   2HZ   LYS1180          HZ2       LYS1180   7.079   5.433  13.482
  879   3HZ   LYS1180          HZ3       LYS1180   5.395   5.295  13.654
  880    H    LEU1181           HN       LEU1181   5.633   5.744   6.734
  881    HA   LEU1181           HA       LEU1181   4.362   3.376   7.650
  882   1HB   LEU1181          HB2       LEU1181   4.312   5.086   5.179
  883   2HB   LEU1181          HB1       LEU1181   3.455   3.550   5.133
  884    HG   LEU1181           HG       LEU1181   3.007   5.800   7.120
  885   1HD1  LEU1181          HD11      LEU1181   1.616   4.802   4.670
  886   2HD1  LEU1181          HD12      LEU1181   1.843   6.457   5.233
  887   3HD1  LEU1181          HD13      LEU1181   0.632   5.425   5.995
  888   1HD2  LEU1181          HD21      LEU1181   2.131   4.250   8.498
  889   2HD2  LEU1181          HD22      LEU1181   2.500   2.975   7.339
  890   3HD2  LEU1181          HD23      LEU1181   0.966   3.835   7.241
  891    H    ALA1182           HN       ALA1182   6.466   3.843   4.788
  892    HA   ALA1182           HA       ALA1182   6.512   1.182   3.844
  893   1HB   ALA1182          HB1       ALA1182   9.033   2.138   3.339
  894   2HB   ALA1182          HB2       ALA1182   8.179   3.634   3.719
  895   3HB   ALA1182          HB3       ALA1182   7.609   2.602   2.408
  896    H    GLU1183           HN       GLU1183   8.868   2.751   6.051
  897    HA   GLU1183           HA       GLU1183  10.412   0.472   6.678
  898   1HB   GLU1183          HB1       GLU1183  10.905   2.833   7.286
  899   2HB   GLU1183          HB2       GLU1183   9.562   2.814   8.429
  900   1HG   GLU1183          HG2       GLU1183  10.664   1.375   9.901
  901   2HG   GLU1183          HG1       GLU1183  11.709   0.725   8.639
  902    H    VAL1184           HN       VAL1184   7.417   1.674   8.194
  903    HA   VAL1184           HA       VAL1184   7.264  -0.406  10.194
  904    HB   VAL1184           HB       VAL1184   5.146   1.366   8.913
  905   1HG1  VAL1184          HG21      VAL1184   3.826   0.958  10.888
  906   2HG1  VAL1184          HG22      VAL1184   5.147   0.081  11.658
  907   3HG1  VAL1184          HG23      VAL1184   4.318  -0.616  10.266
  908   1HG2  VAL1184          HG11      VAL1184   5.749   3.047  10.386
  909   2HG2  VAL1184          HG12      VAL1184   7.328   2.309  10.119
  910   3HG2  VAL1184          HG13      VAL1184   6.405   1.918  11.570
  911    H    PHE1185           HN       PHE1185   6.781  -0.471   6.796
  912    HA   PHE1185           HA       PHE1185   4.741  -2.624   6.894
  913   1HB   PHE1185          HB1       PHE1185   4.720  -0.784   5.185
  914   2HB   PHE1185          HB2       PHE1185   6.283  -1.350   4.598
  915    HD1  PHE1185           HD1      PHE1185   6.073  -2.494   2.581
  916    HD2  PHE1185           HD2      PHE1185   3.107  -3.064   5.634
  917    HE1  PHE1185           HE1      PHE1185   4.935  -4.177   1.160
  918    HE2  PHE1185           HE2      PHE1185   1.968  -4.748   4.214
  919    HZ   PHE1185           HZ       PHE1185   2.882  -5.304   1.976
  920    H    GLU1186           HN       GLU1186   7.950  -2.161   5.414
  921    HA   GLU1186           HA       GLU1186   8.572  -4.865   4.922
  922   1HB   GLU1186          HB1       GLU1186  10.940  -3.955   5.081
  923   2HB   GLU1186          HB2       GLU1186   9.877  -3.026   4.038
  924   1HG   GLU1186          HG2       GLU1186   9.918  -1.211   5.423
  925   2HG   GLU1186          HG1       GLU1186   9.900  -2.206   6.875
  926    H    GLN1187           HN       GLN1187   8.431  -3.128   7.951
  927    HA   GLN1187           HA       GLN1187  10.050  -5.155   9.386
  928   1HB   GLN1187          HB1       GLN1187   8.819  -2.481   9.875
  929   2HB   GLN1187          HB2       GLN1187   8.981  -3.530  11.283
  930   1HG   GLN1187          HG2       GLN1187  11.427  -3.832  10.048
  931   2HG   GLN1187          HG1       GLN1187  11.059  -2.136   9.735
  932   1HE2  GLN1187          HE21      GLN1187  12.049  -4.400  12.178
  933   2HE2  GLN1187          HE22      GLN1187  12.069  -3.309  13.478
  934    H    GLU1188           HN       GLU1188   6.680  -4.086   9.069
  935    HA   GLU1188           HA       GLU1188   5.657  -5.968  11.051
  936   1HB   GLU1188          HB1       GLU1188   4.654  -3.989   9.037
  937   2HB   GLU1188          HB2       GLU1188   3.513  -5.146   9.694
  938   1HG   GLU1188          HG2       GLU1188   3.614  -3.010  11.004
  939   2HG   GLU1188          HG1       GLU1188   3.990  -4.444  11.945
  940    H    ILE1189           HN       ILE1189   5.885  -5.844   7.537
  941    HA   ILE1189           HA       ILE1189   4.384  -8.351   7.192
  942    HB   ILE1189           HB       ILE1189   4.310  -6.331   5.669
  943   1HG1  ILE1189          HG12      ILE1189   4.809  -7.840   3.537
  944   2HG1  ILE1189          HG11      ILE1189   4.929  -9.111   4.754
  945   1HG2  ILE1189          HG21      ILE1189   6.157  -5.533   4.615
  946   2HG2  ILE1189          HG22      ILE1189   6.758  -7.151   4.254
  947   3HG2  ILE1189          HG23      ILE1189   7.058  -6.433   5.836
  948   1HD1  ILE1189          HD11      ILE1189   2.608  -8.804   3.807
  949   2HD1  ILE1189          HD12      ILE1189   2.584  -7.201   4.542
  950   3HD1  ILE1189          HD13      ILE1189   2.698  -8.637   5.561
  951    H    ASP1190           HN       ASP1190   7.643  -7.561   7.872
  952    HA   ASP1190           HA       ASP1190   9.153  -9.350   6.322
  953   1HB   ASP1190          HB2       ASP1190   9.524  -7.674   8.491
  954   2HB   ASP1190          HB1       ASP1190   9.851  -9.263   9.187
  955    HA   PRO1191           HA       PRO1191   8.218 -12.781   9.625
  956   1HB   PRO1191          HB2       PRO1191   5.640 -11.812  10.748
  957   2HB   PRO1191          HB1       PRO1191   7.042 -12.474  11.596
  958   1HG   PRO1191          HG1       PRO1191   6.452  -9.921  11.745
  959   2HG   PRO1191          HG2       PRO1191   8.124 -10.468  11.688
  960   1HD   PRO1191          HD2       PRO1191   6.450  -9.286   9.511
  961   2HD   PRO1191          HD1       PRO1191   8.138  -8.975   9.931
  962    H    VAL1192           HN       VAL1192   5.422 -11.045   8.253
  963    HA   VAL1192           HA       VAL1192   3.811 -13.308   7.619
  964    HB   VAL1192           HB       VAL1192   4.148 -10.589   6.299
  965   1HG1  VAL1192          HG21      VAL1192   2.966 -11.967   4.741
  966   2HG1  VAL1192          HG22      VAL1192   1.732 -11.039   5.594
  967   3HG1  VAL1192          HG23      VAL1192   2.022 -12.725   6.024
  968   1HG2  VAL1192          HG11      VAL1192   1.778 -11.104   7.938
  969   2HG2  VAL1192          HG12      VAL1192   2.911  -9.753   8.001
  970   3HG2  VAL1192          HG13      VAL1192   3.279 -11.253   8.853
  971    H    MET1193           HN       MET1193   5.841 -11.406   5.339
  972    HA   MET1193           HA       MET1193   5.711 -13.230   3.180
  973   1HB   MET1193          HB1       MET1193   7.786 -11.233   4.132
  974   2HB   MET1193          HB2       MET1193   7.922 -12.063   2.582
  975   1HG   MET1193          HG1       MET1193   5.457 -10.506   3.396
  976   2HG   MET1193          HG2       MET1193   6.793  -9.779   2.506
  977   1HE   MET1193          HE1       MET1193   3.223 -11.159   1.011
  978   2HE   MET1193          HE2       MET1193   3.767 -11.135   2.688
  979   3HE   MET1193          HE3       MET1193   3.689 -12.661   1.808
  980    H    GLN1194           HN       GLN1194   7.745 -13.259   6.068
  981    HA   GLN1194           HA       GLN1194   9.728 -15.123   5.222
  982   1HB   GLN1194          HB2       GLN1194   8.600 -13.997   7.710
  983   2HB   GLN1194          HB1       GLN1194   9.342 -15.583   7.916
  984   1HG   GLN1194          HG2       GLN1194  11.430 -14.805   6.991
  985   2HG   GLN1194          HG1       GLN1194  10.703 -13.275   6.500
  986   1HE2  GLN1194          HE22      GLN1194  12.780 -12.733   8.027
  987   2HE2  GLN1194          HE21      GLN1194  12.378 -12.437   9.650
  988    H    SER1195           HN       SER1195   6.525 -15.650   6.722
  989    HA   SER1195           HA       SER1195   6.846 -18.590   6.395
  990   1HB   SER1195          HB2       SER1195   5.665 -16.775   8.260
  991   2HB   SER1195          HB1       SER1195   4.405 -17.783   7.570
  992    HG   SER1195           HG       SER1195   5.296 -19.539   8.386
  993    H    LEU1196           HN       LEU1196   5.265 -15.832   5.040
  994    HA   LEU1196           HA       LEU1196   3.182 -17.396   3.668
  995   1HB   LEU1196          HB2       LEU1196   3.034 -15.103   4.827
  996   2HB   LEU1196          HB1       LEU1196   3.847 -14.516   3.396
  997    HG   LEU1196           HG       LEU1196   2.033 -15.622   2.022
  998   1HD1  LEU1196          HD21      LEU1196   1.393 -16.880   4.303
  999   2HD1  LEU1196          HD22      LEU1196   0.197 -16.553   3.047
 1000   3HD1  LEU1196          HD23      LEU1196   0.318 -15.492   4.452
 1001   1HD2  LEU1196          HD11      LEU1196   1.686 -13.283   3.868
 1002   2HD2  LEU1196          HD12      LEU1196   0.317 -13.790   2.876
 1003   3HD2  LEU1196          HD13      LEU1196   1.829 -13.301   2.111
 1004    H    GLY1197           HN       GLY1197   5.773 -15.122   2.713
 1005   1HA   GLY1197          HA1       GLY1197   5.589 -15.657  -0.085
 1006   2HA   GLY1197          HA2       GLY1197   6.998 -14.963   0.718
 1007    HH2  TTR 201           HH2      CRB 201  -7.016  19.813  -3.169
 1008    HZ3  TTR 201           HZ3      CRB 201  -4.607  20.290  -3.504
 1009    HE3  TTR 201           HE3      CRB 201  -2.913  18.533  -3.072
 1010    HZ2  TTR 201           HZ2      CRB 201  -7.744  17.572  -2.408
 1011    HN1  TTR 201           HN1      CRB 201  -7.957  14.047   0.130
 1012    HN2  TTR 201           HN2      CRB 201  -8.366  15.724  -0.235
 1013    HN3  TTR 201           HN3      CRB 201  -6.813  15.336   0.504
 1014    HB1  TTR 201           HB1      CRB 201  -1.704  16.074  -3.004
 1015    HB2  TTR 201           HB2      CRB 201  -1.709  15.887  -1.252
 1016    HA1  TTR 201           HA1      CRB 201  -2.105  13.733  -3.357
 1017    HA2  TTR 201           HA2      CRB 201  -0.847  13.820  -2.129
 1018    HM1  TTR 201           HM1      CRB 201  -2.710  12.151  -1.659
 1019    HM2  TTR 201           HM2      CRB 201  -2.387  13.300  -0.371